#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:24:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178781 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/35/4103561.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4103561
loop_
_publ_author_name
'Tai-Shan Wang'
'Lai Feng'
'Jing-Yi Wu'
'Wei Xu'
'Jun-Feng Xiang'
'Kai Tan'
'Yi-Han Ma'
'Jun-Peng Zheng'
'Li Jiang'
'Xin Lu'
'Chun-Ying Shu'
'Chun-Ru Wang'
_publ_section_title
;
 Planar Quinary Cluster inside a Fullerene Cage: Synthesis and Structural
 Characterizations of Sc3NC@C80-Ih
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16362
_journal_page_last               16364
_journal_paper_doi               10.1021/ja107843b
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C81 N Sc3, C36 H44 N4 Ni, 3 (C3 H3)'
_chemical_formula_sum            'C126 H53 N5 Ni Sc3'
_chemical_formula_weight         1830.32
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.27
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.306
_cell_length_b                   15.147
_cell_length_c                   19.763
_cell_measurement_reflns_used    12323
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4818
_cell_measurement_theta_min      1.6163
_cell_volume                     7543.334
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            34294
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    0.574
_exptl_absorpt_correction_T_max  0.9384
_exptl_absorpt_correction_T_min  0.8875
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS Sheldrick 1996'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3740
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.630
_refine_diff_density_min         -1.415
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.905
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         8949
_refine_ls_number_restraints     670
_refine_ls_restrained_S_all      1.864
_refine_ls_R_factor_all          0.1498
_refine_ls_R_factor_gt           0.1436
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4338
_refine_ls_wR_factor_ref         0.4420
_reflns_number_gt                8227
_reflns_number_total             8949
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja107843b_si_002.cif
_cod_data_source_block           mx428-c2m-b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        7543.3
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4103561
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N0 N 0.2023(3) 0.0000 0.1912(3) 0.0375(14) Uani 1 2 d S . .
C43 C 0.2309(5) 0.0595(7) 0.1790(6) 0.041(3) Uani 0.50 1 d P A -1
C1B C 0.0936(5) 0.0331(6) 0.3184(5) 0.0610(10) Uani 0.50 1 d PD A -1
C2B C 0.0618(4) 0.0571(6) 0.2574(5) 0.0610(10) Uani 0.50 1 d PD A -1
C3B C 0.0732(5) 0.1475(6) 0.2418(5) 0.0610(10) Uani 0.50 1 d PD A -1
C4B C 0.1123(4) 0.1795(6) 0.2937(6) 0.0610(10) Uani 0.50 1 d PD A -1
C5B C 0.1251(4) 0.1088(7) 0.3410(5) 0.0610(10) Uani 0.50 1 d PD A -1
C6B C 0.1539(5) 0.2341(8) 0.2761(5) 0.0610(10) Uani 0.50 1 d PD A -1
C7B C 0.1542(4) 0.2581(7) 0.2064(4) 0.0610(10) Uani 0.50 1 d PD A -1
C8B C 0.1143(4) 0.2235(7) 0.1570(5) 0.0610(10) Uani 0.50 1 d PD A -1
C9B C 0.0730(7) 0.1612(10) 0.1668(7) 0.0610(10) Uani 0.50 1 d PD A -1
C10B C 0.2018(4) 0.2711(8) 0.1729(5) 0.0610(10) Uani 0.50 1 d PD A -1
C11B C 0.1914(4) 0.2447(7) 0.1034(5) 0.0610(10) Uani 0.50 1 d PD A -1
C12B C 0.1371(4) 0.2152(7) 0.0937(5) 0.0610(10) Uani 0.50 1 d PD A -1
C13B C 0.2065(4) 0.2202(7) 0.3091(6) 0.0610(10) Uani 0.50 1 d PD A -1
C14B C 0.2178(5) 0.1530(7) 0.3598(6) 0.0610(10) Uani 0.50 1 d PD A -1
C15B C 0.1754(5) 0.0941(9) 0.3763(8) 0.0610(10) Uani 0.50 1 d PD A -1
C16B C 0.2541(5) 0.2342(7) 0.2755(5) 0.0610(10) Uani 0.50 1 d PD A -1
C17B C 0.2527(5) 0.2550(10) 0.2072(6) 0.0614(10) Uani 0.50 1 d PD A -1
C18B C 0.2944(4) 0.1759(7) 0.3054(7) 0.0614(10) Uani 0.50 1 d PD A -1
C19B C 0.2720(5) 0.1257(7) 0.3577(6) 0.0614(10) Uani 0.50 1 d PD A -1
C20B C 0.2315(5) 0.2028(8) 0.0676(7) 0.0614(10) Uani 0.50 1 d PD A -1
C21B C 0.2857(4) 0.1983(7) 0.0989(5) 0.0614(10) Uani 0.50 1 d PD A -1
C22B C 0.2936(4) 0.2204(7) 0.1693(5) 0.0614(10) Uani 0.50 1 d PD A -1
C23B C 0.2169(3) 0.1410(5) 0.0157(6) 0.0614(10) Uani 0.50 1 d PD A -1
C24B C 0.1625(3) 0.1129(6) 0.0052(5) 0.0614(10) Uani 0.50 1 d PD A -1
C25B C 0.1234(5) 0.1501(8) 0.0451(7) 0.0614(10) Uani 0.50 1 d PD A -1
C26B C 0.3335(5) 0.1630(9) 0.2010(4) 0.0614(10) Uani 0.50 1 d PD A -1
C27B C 0.3342(6) 0.1371(9) 0.2688(6) 0.0614(10) Uani 0.50 1 d PD A -1
C28B C 0.3503(4) 0.1043(7) 0.1499(6) 0.0614(10) Uani 0.50 1 d PD A -1
C29B C 0.3208(4) 0.1264(7) 0.0868(5) 0.0614(10) Uani 0.50 1 d PD A -1
C30B C 0.3007(5) 0.0623(9) 0.0381(7) 0.0614(10) Uani 0.50 1 d PD A -1
C31B C 0.2501(3) 0.0661(6) 0.0036(6) 0.0614(10) Uani 0.50 1 d PD A -1
C32B C 0.0583(5) 0.0966(6) 0.1182(5) 0.0614(10) Uani 0.50 1 d PD A -1
C33B C 0.0429(4) 0.0099(8) 0.1386(5) 0.0638(11) Uani 0.50 1 d PD A -1
C34B C 0.0464(5) -0.0100(13) 0.2093(5) 0.0638(11) Uani 0.50 1 d PD A -1
C35B C 0.0829(4) 0.0882(9) 0.0560(5) 0.0638(11) Uani 0.50 1 d PD A -1
C36B C 0.3508(6) 0.0518(9) 0.2882(7) 0.0638(11) Uani 0.50 1 d PD A -1
C37B C 0.3655(5) -0.0126(12) 0.2403(5) 0.0638(11) Uani 0.50 1 d PD A -1
C38B C 0.3639(5) 0.0151(10) 0.1707(5) 0.0638(11) Uani 0.50 1 d PD A -1
C39B C 0.2446(5) -0.0227(9) 0.3929(6) 0.0638(11) Uani 0.50 1 d PD A -1
C40B C 0.1620(3) 0.0208(6) -0.0134(5) 0.0638(11) Uani 0.50 1 d PD A -1
C41B C 0.3261(4) 0.004(2) 0.3420(5) 0.0638(11) Uani 0.50 1 d PD A -1
C42B C 0.2849(5) 0.0351(8) 0.3760(7) 0.0638(11) Uani 0.50 1 d PD A -1
C43B C 0.2161(3) -0.0079(6) -0.0145(4) 0.0638(11) Uani 0.50 1 d PD A -1
C44B C 0.1902(4) 0.0054(15) 0.3950(5) 0.0638(11) Uani 0.50 1 d PD A -1
C45B C 0.0826(4) -0.0039(10) 0.0380(5) 0.0638(11) Uani 0.50 1 d PD A -1
Sc1B Sc 0.1562(3) 0.1100(3) 0.21943(16) 0.0685(19) Uani 0.50 1 d P A -1
C65D C 0.1113(5) -0.0608(9) 0.3368(6) 0.0598(14) Uani 0.50 1 d PD A -1
C66D C 0.0912(4) -0.1266(7) 0.2918(4) 0.0598(14) Uani 0.50 1 d PD A -1
C67D C 0.1197(6) -0.0352(8) 0.0075(6) 0.0598(14) Uani 0.50 1 d PD A -1
C68D C 0.0623(4) -0.1038(7) 0.2284(5) 0.0598(14) Uani 0.50 1 d PD A -1
C69D C 0.0577(6) -0.0546(8) 0.0898(6) 0.0598(14) Uani 0.50 1 d PD A -1
C70D C 0.1595(5) -0.0649(10) 0.3768(7) 0.0598(14) Uani 0.50 1 d PD A -1
C71D C 0.1347(4) -0.1256(7) 0.0205(5) 0.0598(14) Uani 0.50 1 d PD A -1
C72D C 0.1123(4) -0.1762(8) 0.0724(5) 0.0598(14) Uani 0.50 1 d PD A -1
C73D C 0.0741(5) -0.1393(7) 0.1110(6) 0.0523(10) Uani 0.50 1 d PD A -1
C74D C 0.0747(5) -0.1686(7) 0.1788(4) 0.0523(10) Uani 0.50 1 d PD A -1
C75D C 0.3498(6) -0.0929(10) 0.2625(7) 0.0523(10) Uani 0.50 1 d PD A -1
C76D C 0.3261(5) -0.0907(9) 0.3247(7) 0.0523(10) Uani 0.50 1 d PD A -1
C77D C 0.2865(5) -0.1526(8) 0.3354(7) 0.0523(10) Uani 0.50 1 d PD A -1
C78D C 0.2466(5) -0.1185(9) 0.3733(7) 0.0523(10) Uani 0.50 1 d PD A -1
C79D C 0.1910(4) -0.1435(9) 0.3666(6) 0.0523(10) Uani 0.50 1 d PD A -1
C80D C 0.2311(5) -0.0970(8) 0.0036(7) 0.0523(10) Uani 0.50 1 d PD A -1
C81D C 0.1887(4) -0.1523(7) 0.0187(5) 0.0523(10) Uani 0.50 1 d PD A -1
C82D C 0.2001(4) -0.2192(7) 0.0691(5) 0.0523(10) Uani 0.50 1 d PD A -1
C83D C 0.1529(4) -0.2342(7) 0.1025(5) 0.0599(14) Uani 0.50 1 d PD A -1
C84D C 0.1763(5) -0.2087(8) 0.3160(7) 0.0599(14) Uani 0.50 1 d PD A -1
C85D C 0.1216(4) -0.2051(7) 0.2819(5) 0.0599(14) Uani 0.50 1 d PD A -1
C86D C 0.1113(4) -0.2308(6) 0.2120(5) 0.0599(14) Uani 0.50 1 d PD A -1
C87D C 0.1533(5) -0.2594(9) 0.1705(6) 0.0599(14) Uani 0.50 1 d PD A -1
C88D C 0.3507(4) -0.0562(6) 0.1226(6) 0.0599(14) Uani 0.50 1 d PD A -1
C89D C 0.3208(5) -0.0303(6) 0.0569(6) 0.0599(14) Uani 0.50 1 d PD A -1
C90D C 0.2833(4) -0.1038(6) 0.0355(6) 0.0599(14) Uani 0.50 1 d PD A -1
C91D C 0.3343(7) -0.1612(9) 0.2152(7) 0.0695(16) Uani 0.50 1 d PD A -1
C92D C 0.3317(5) -0.1455(6) 0.1417(5) 0.0695(16) Uani 0.50 1 d PD A -1
C93D C 0.2904(4) -0.1742(6) 0.0880(6) 0.0695(16) Uani 0.50 1 d PD A -1
C94D C 0.2505(5) -0.2303(8) 0.1044(7) 0.0695(16) Uani 0.50 1 d PD A -1
C95D C 0.2051(4) -0.2717(7) 0.2068(5) 0.0695(16) Uani 0.50 1 d PD A -1
C96D C 0.2528(5) -0.2570(7) 0.1734(5) 0.0695(16) Uani 0.50 1 d PD A -1
C97D C 0.2930(4) -0.2240(6) 0.2236(6) 0.0695(16) Uani 0.50 1 d PD A -1
C98D C 0.2703(4) -0.2182(7) 0.2873(5) 0.0695(16) Uani 0.50 1 d PD A -1
C99D C 0.2158(4) -0.2477(7) 0.2771(5) 0.0695(16) Uani 0.50 1 d PD A -1
Sc1D Sc 0.1601(4) -0.1063(6) 0.2243(5) 0.156(5) Uani 0.50 1 d P A -1
Sc3B Sc 0.27283(11) -0.0447(2) 0.14520(16) 0.0637(8) Uani 0.50 1 d P A -1
C1P C -0.09512(19) 0.0447(3) 0.2490(2) 0.0283(10) Uani 1 1 d . . .
C2P C -0.05896(18) 0.0714(3) 0.3066(2) 0.0239(9) Uani 1 1 d . . .
C3P C -0.04757(17) 0.1586(3) 0.3229(2) 0.0241(9) Uani 1 1 d . . .
H3P H -0.0664 0.2021 0.2978 0.029 Uiso 1 1 calc R . .
C4P C -0.01030(16) 0.1853(3) 0.3737(2) 0.0204(8) Uani 1 1 d . . .
C5P C 0.00280(19) 0.2769(3) 0.3869(2) 0.0273(10) Uani 1 1 d . . .
C6P C 0.04209(17) 0.2766(3) 0.4387(2) 0.0245(9) Uani 1 1 d . . .
C7P C 0.05242(17) 0.1860(3) 0.4576(2) 0.0225(9) Uani 1 1 d . . .
C8P C 0.09021(17) 0.1582(3) 0.5059(2) 0.0238(9) Uani 1 1 d . . .
H8P H 0.1093 0.2013 0.5311 0.029 Uiso 1 1 calc R . .
C9P C 0.10279(17) 0.0719(3) 0.5208(2) 0.0202(8) Uani 1 1 d . . .
C10P C 0.14534(17) 0.0438(3) 0.5702(2) 0.0247(9) Uani 1 1 d . . .
C11P C -0.0856(3) 0.1456(4) 0.1493(3) 0.0447(13) Uani 1 1 d . . .
H11A H -0.1054 0.1844 0.1181 0.067 Uiso 1 1 calc R . .
H11B H -0.0705 0.0989 0.1245 0.067 Uiso 1 1 calc R . .
H11C H -0.0577 0.1782 0.1743 0.067 Uiso 1 1 calc R . .
C12P C -0.1226(2) 0.1062(3) 0.1990(3) 0.0355(11) Uani 1 1 d . . .
H12A H -0.1381 0.1539 0.2233 0.043 Uiso 1 1 calc R . .
H12B H -0.1512 0.0750 0.1733 0.043 Uiso 1 1 calc R . .
C13P C 0.0011(3) 0.3650(4) 0.2782(3) 0.0490(15) Uani 1 1 d . . .
H13A H -0.0151 0.4153 0.2552 0.073 Uiso 1 1 calc R . .
H13B H -0.0063 0.3131 0.2511 0.073 Uiso 1 1 calc R . .
H13C H 0.0388 0.3738 0.2851 0.073 Uiso 1 1 calc R . .
C14P C -0.0213(2) 0.3535(3) 0.3469(3) 0.0355(11) Uani 1 1 d . . .
H14A H -0.0150 0.4071 0.3733 0.043 Uiso 1 1 calc R . .
H14B H -0.0594 0.3450 0.3395 0.043 Uiso 1 1 calc R . .
C15P C 0.0724(2) 0.3545(3) 0.4726(3) 0.0343(11) Uani 1 1 d . . .
H15A H 0.0765 0.3452 0.5214 0.041 Uiso 1 1 calc R . .
H15B H 0.0519 0.4080 0.4638 0.041 Uiso 1 1 calc R . .
C16P C 0.1269(3) 0.3664(4) 0.4471(4) 0.0526(16) Uani 1 1 d . . .
H16A H 0.1444 0.4159 0.4697 0.079 Uiso 1 1 calc R . .
H16B H 0.1229 0.3768 0.3990 0.079 Uiso 1 1 calc R . .
H16C H 0.1476 0.3141 0.4566 0.079 Uiso 1 1 calc R . .
C17P C 0.18369(19) 0.1067(3) 0.6079(2) 0.0290(10) Uani 1 1 d . . .
H17A H 0.2000 0.0780 0.6485 0.035 Uiso 1 1 calc R . .
H17B H 0.1645 0.1580 0.6220 0.035 Uiso 1 1 calc R . .
C18P C 0.2264(2) 0.1359(4) 0.5641(3) 0.0413(13) Uani 1 1 d . . .
H18A H 0.2506 0.1749 0.5897 0.062 Uiso 1 1 calc R . .
H18B H 0.2104 0.1662 0.5248 0.062 Uiso 1 1 calc R . .
H18C H 0.2453 0.0852 0.5501 0.062 Uiso 1 1 calc R . .
N2P N 0.01974(13) 0.1299(3) 0.41619(17) 0.0226(8) Uani 1 1 d . . .
N1P N 0.07604(19) 0.0000 0.4911(2) 0.0180(10) Uani 1 2 d S . .
N3P N -0.0365(2) 0.0000 0.3408(3) 0.0203(10) Uani 1 2 d S . .
Ni1 Ni 0.01850(3) 0.0000 0.41783(3) 0.0182(3) Uani 1 2 d S . .
C4S C 0.2269(4) 0.5000 0.2309(4) 0.055(2) Uani 1 2 d S . .
H4S H 0.2631 0.5000 0.2441 0.066 Uiso 1 2 calc SR . .
C5S C 0.2102(5) 0.5000 0.1647(5) 0.060(3) Uani 1 2 d S . .
H5S H 0.2345 0.5000 0.1322 0.072 Uiso 1 2 calc SR . .
C6S C 0.1570(6) 0.5000 0.1455(5) 0.076(3) Uani 1 2 d S . .
H6S H 0.1453 0.5000 0.0995 0.091 Uiso 1 2 calc SR . .
C7S C 0.1198(6) 0.5000 0.1936(6) 0.079(3) Uani 1 2 d S . .
H7S H 0.0837 0.5000 0.1795 0.094 Uiso 1 2 calc SR . .
C8S C 0.1368(4) 0.5000 0.2616(5) 0.054(2) Uani 1 2 d S . .
H8S H 0.1124 0.5000 0.2941 0.065 Uiso 1 2 calc SR . .
C9S C 0.1906(5) 0.5000 0.2812(5) 0.058(2) Uani 1 2 d S . .
H9S H 0.2029 0.5000 0.3270 0.069 Uiso 1 2 calc SR . .
C1S C 0.4747(5) 0.1437(11) 0.0611(8) 0.066(4) Uani 0.50 1 d PD . .
H1S H 0.4584 0.1516 0.1010 0.080 Uiso 0.50 1 calc PR . .
C2S C 0.5305(5) 0.1371(10) 0.0615(9) 0.066(4) Uani 0.50 1 d PD . .
H2S H 0.5515 0.1322 0.1024 0.079 Uiso 0.50 1 calc PR . .
C3S C 0.4462(5) 0.1380(10) -0.0004(10) 0.095(8) Uani 0.50 1 d PD . .
H3S H 0.4094 0.1344 -0.0018 0.114 Uiso 0.50 1 calc PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.2519 0.3716 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C43 N0 C43 98.2(12) 6 .
C43 N0 Sc1D 172.0(9) 6 6
C43 N0 Sc1D 79.4(6) . 6
C43 N0 Sc1D 79.4(6) 6 .
C43 N0 Sc1D 172.0(9) . .
Sc1D N0 Sc1D 102.0(7) 6 .
C43 N0 Sc1B 175.2(8) 6 .
C43 N0 Sc1B 79.5(6) . .
Sc1D N0 Sc1B 3.4(4) 6 .
Sc1D N0 Sc1B 102.3(3) . .
C43 N0 Sc1B 79.5(6) 6 6
C43 N0 Sc1B 175.2(8) . 6
Sc1D N0 Sc1B 102.3(3) 6 6
Sc1D N0 Sc1B 3.4(4) . 6
Sc1B N0 Sc1B 102.4(5) . 6
C43 N0 Sc3B 31.7(5) 6 .
C43 N0 Sc3B 67.5(6) . .
Sc1D N0 Sc3B 146.9(4) 6 .
Sc1D N0 Sc3B 110.8(3) . .
Sc1B N0 Sc3B 146.8(3) . .
Sc1B N0 Sc3B 110.7(2) 6 .
C43 N0 Sc3B 67.5(6) 6 6
C43 N0 Sc3B 31.7(5) . 6
Sc1D N0 Sc3B 110.8(3) 6 6
Sc1D N0 Sc3B 146.9(4) . 6
Sc1B N0 Sc3B 110.7(2) . 6
Sc1B N0 Sc3B 146.8(3) 6 6
Sc3B N0 Sc3B 36.1(2) . 6
N0 C43 Sc3B 79.9(6) . .
N0 C43 Sc1B 69.0(6) . .
Sc3B C43 Sc1B 148.7(6) . .
C2B C1B C5B 108.1(4) . .
C2B C1B C65D 124.5(8) . .
C5B C1B C65D 121.6(9) . .
C2B C1B Sc1B 68.1(4) . .
C5B C1B Sc1B 64.2(4) . .
C65D C1B Sc1B 111.8(9) . .
C34B C2B C1B 118.7(10) . .
C34B C2B C3B 125.8(10) . .
C1B C2B C3B 108.2(4) . .
C34B C2B Sc1B 102.8(7) . .
C1B C2B Sc1B 82.3(4) . .
C3B C2B Sc1B 57.0(4) . .
C2B C3B C4B 107.8(4) . .
C2B C3B C9B 111.2(9) . .
C4B C3B C9B 126.8(10) . .
C2B C3B Sc1B 90.7(5) . .
C4B C3B Sc1B 68.6(5) . .
C9B C3B Sc1B 76.1(8) . .
C6B C4B C5B 117.9(10) . .
C6B C4B C3B 120.0(9) . .
C5B C4B C3B 108.2(4) . .
C6B C4B Sc1B 71.2(7) . .
C5B C4B Sc1B 88.8(5) . .
C3B C4B Sc1B 73.6(5) . .
C15B C5B C4B 125.4(11) . .
C15B C5B C1B 118.4(10) . .
C4B C5B C1B 107.7(4) . .
C15B C5B Sc1B 97.0(9) . .
C4B C5B Sc1B 57.6(5) . .
C1B C5B Sc1B 85.7(5) . .
C4B C6B C7B 117.3(11) . .
C4B C6B C13B 118.9(10) . .
C7B C6B C13B 112.9(10) . .
C4B C6B Sc1B 71.3(7) . .
C7B C6B Sc1B 73.9(7) . .
C13B C6B Sc1B 92.3(8) . .
C6B C7B C8B 119.8(9) . .
C6B C7B C10B 123.8(10) . .
C8B C7B C10B 107.7(4) . .
C6B C7B Sc1B 68.8(7) . .
C8B C7B Sc1B 73.9(5) . .
C10B C7B Sc1B 100.2(6) . .
C9B C8B C12B 114.7(9) . .
C9B C8B C7B 128.7(10) . .
C12B C8B C7B 108.1(4) . .
C9B C8B Sc1B 75.2(9) . .
C12B C8B Sc1B 101.4(5) . .
C7B C8B Sc1B 69.5(5) . .
C32B C9B C8B 121.3(11) . .
C32B C9B C3B 124.1(12) . .
C8B C9B C3B 106.7(10) . .
C32B C9B Sc1B 103.9(11) . .
C8B C9B Sc1B 69.3(9) . .
C3B C9B Sc1B 66.5(8) . .
C17B C10B C11B 119.3(9) . .
C17B C10B C7B 121.2(10) . .
C11B C10B C7B 108.3(4) . .
C10B C11B C20B 121.3(9) . .
C10B C11B C12B 107.7(4) . .
C20B C11B C12B 120.4(9) . .
C25B C12B C8B 124.6(9) . .
C25B C12B C11B 118.9(8) . .
C8B C12B C11B 108.3(4) . .
C6B C13B C14B 122.3(10) . .
C6B C13B C16B 123.0(10) . .
C14B C13B C16B 107.7(4) . .
C6B C13B Sc1B 55.1(6) . .
C14B C13B Sc1B 94.2(6) . .
C16B C13B Sc1B 98.9(6) . .
C19B C14B C13B 108.2(4) . .
C19B C14B C15B 123.7(10) . .
C13B C14B C15B 119.1(11) . .
C5B C15B C44B 118.5(11) . .
C5B C15B C14B 116.3(13) . .
C44B C15B C14B 116.9(12) . .
C17B C16B C18B 119.6(10) . .
C17B C16B C13B 122.4(10) . .
C18B C16B C13B 108.2(4) . .
C16B C17B C10B 116.4(11) . .
C16B C17B C22B 118.3(11) . .
C10B C17B C22B 118.7(11) . .
C27B C18B C16B 123.8(10) . .
C27B C18B C19B 119.4(10) . .
C16B C18B C19B 108.0(4) . .
C14B C19B C18B 107.9(4) . .
C14B C19B C42B 117.3(10) . .
C18B C19B C42B 125.8(10) . .
C23B C20B C11B 120.0(10) . .
C23B C20B C21B 116.8(9) . .
C11B C20B C21B 119.6(11) . .
C22B C21B C29B 107.9(4) . .
C22B C21B C20B 116.4(9) . .
C29B C21B C20B 122.6(8) . .
C21B C22B C26B 108.2(4) . .
C21B C22B C17B 123.6(10) . .
C26B C22B C17B 120.5(10) . .
C20B C23B C24B 119.0(8) . .
C20B C23B C31B 121.6(8) . .
C24B C23B C31B 107.9(4) . .
C25B C24B C23B 120.2(8) . .
C25B C24B C40B 122.0(8) . .
C23B C24B C40B 108.0(4) . .
C12B C25B C35B 119.9(10) . .
C12B C25B C24B 120.9(10) . .
C35B C25B C24B 111.6(10) . .
C27B C26B C22B 122.5(10) . .
C27B C26B C28B 121.5(11) . .
C22B C26B C28B 108.1(4) . .
C26B C27B C36B 119.9(12) . .
C26B C27B C18B 115.2(12) . .
C36B C27B C18B 116.8(11) . .
C29B C28B C38B 123.9(9) . .
C29B C28B C26B 107.6(4) . .
C38B C28B C26B 117.1(9) . .
C30B C29B C28B 123.6(10) . .
C30B C29B C21B 116.1(9) . .
C28B C29B C21B 108.2(4) . .
C31B C30B C29B 123.8(11) . .
C31B C30B C89D 115.3(10) . .
C29B C30B C89D 111.7(10) . .
C31B C30B Sc3B 96.3(8) . .
C29B C30B Sc3B 89.0(8) . .
C89D C30B Sc3B 52.2(7) . .
C30B C31B C43B 126.2(8) . .
C30B C31B C23B 118.2(7) . .
C43B C31B C23B 108.0(4) . .
C9B C32B C35B 122.9(10) . .
C9B C32B C33B 120.6(11) . .
C35B C32B C33B 108.0(6) . .
C69D C33B C34B 121.0(10) . .
C69D C33B C32B 109.7(9) . .
C34B C33B C32B 118.3(12) . .
C2B C34B C33B 119.6(14) . .
C2B C34B C68D 116.9(9) . .
C33B C34B C68D 115.8(12) . .
C25B C35B C32B 116.6(10) . .
C25B C35B C45B 126.1(11) . .
C32B C35B C45B 107.8(5) . .
C27B C36B C37B 122.5(13) . .
C27B C36B C41B 120.7(17) . .
C37B C36B C41B 107.5(14) . .
C75D C37B C36B 107.0(11) . .
C75D C37B C38B 125.9(13) . .
C36B C37B C38B 116.7(14) . .
C28B C38B C37B 122.1(13) . .
C28B C38B C88D 118.2(10) . .
C37B C38B C88D 113.1(12) . .
C28B C38B Sc3B 95.2(7) . .
C37B C38B Sc3B 91.8(8) . .
C88D C38B Sc3B 56.2(6) . .
C42B C39B C44B 122.5(14) . .
C42B C39B C78D 119.8(11) . .
C44B C39B C78D 110.3(13) . .
C43B C40B C24B 108.1(4) . .
C43B C40B C67D 123.7(8) . .
C24B C40B C67D 118.7(8) . .
C42B C41B C36B 126(2) . .
C42B C41B C76D 117.1(17) . .
C36B C41B C76D 107.4(14) . .
C41B C42B C39B 120.4(16) . .
C41B C42B C19B 111.2(17) . .
C39B C42B C19B 119.8(11) . .
C80D C43B C31B 122.2(8) . .
C80D C43B C40B 120.7(9) . .
C31B C43B C40B 108.0(4) . .
C70D C44B C15B 122.7(11) . .
C70D C44B C39B 106.7(17) . .
C15B C44B C39B 119.6(14) . .
C67D C45B C35B 119.9(13) . .
C67D C45B C69D 121.8(14) . .
C35B C45B C69D 109.1(8) . .
N0 Sc1B C4B 150.7(4) . .
N0 Sc1B C6B 147.4(5) . .
C4B Sc1B C6B 37.5(3) . .
N0 Sc1B C43 31.4(3) . .
C4B Sc1B C43 153.6(5) . .
C6B Sc1B C43 122.4(6) . .
N0 Sc1B C3B 141.9(5) . .
C4B Sc1B C3B 37.8(2) . .
C6B Sc1B C3B 67.4(4) . .
C43 Sc1B C3B 168.7(5) . .
N0 Sc1B C7B 138.8(4) . .
C4B Sc1B C7B 65.9(3) . .
C6B Sc1B C7B 37.3(2) . .
C43 Sc1B C7B 108.0(5) . .
C3B Sc1B C7B 76.1(4) . .
N0 Sc1B C8B 132.4(3) . .
C4B Sc1B C8B 76.4(4) . .
C6B Sc1B C8B 66.6(4) . .
C43 Sc1B C8B 114.9(4) . .
C3B Sc1B C8B 61.9(3) . .
C7B Sc1B C8B 36.6(2) . .
N0 Sc1B C9B 128.2(4) . .
C4B Sc1B C9B 69.8(4) . .
C6B Sc1B C9B 83.2(5) . .
C43 Sc1B C9B 133.6(5) . .
C3B Sc1B C9B 37.4(3) . .
C7B Sc1B C9B 67.6(4) . .
C8B Sc1B C9B 35.4(3) . .
N0 Sc1B C5B 117.1(3) . .
C4B Sc1B C5B 33.6(2) . .
C6B Sc1B C5B 60.6(4) . .
C43 Sc1B C5B 131.4(4) . .
C3B Sc1B C5B 56.9(3) . .
C7B Sc1B C5B 96.1(3) . .
C8B Sc1B C5B 109.6(4) . .
C9B Sc1B C5B 94.3(4) . .
N0 Sc1B C13B 115.0(3) . .
C4B Sc1B C13B 59.7(3) . .
C6B Sc1B C13B 32.7(3) . .
C43 Sc1B C13B 94.8(4) . .
C3B Sc1B C13B 96.2(3) . .
C7B Sc1B C13B 57.3(3) . .
C8B Sc1B C13B 93.3(4) . .
C9B Sc1B C13B 115.7(4) . .
C5B Sc1B C13B 63.7(3) . .
N0 Sc1B C2B 111.1(4) . .
C4B Sc1B C2B 55.8(3) . .
C6B Sc1B C2B 92.7(4) . .
C43 Sc1B C2B 142.5(4) . .
C3B Sc1B C2B 32.3(2) . .
C7B Sc1B C2B 108.4(4) . .
C8B Sc1B C2B 89.7(4) . .
C9B Sc1B C2B 56.5(4) . .
C5B Sc1B C2B 52.2(2) . .
C13B Sc1B C2B 112.5(3) . .
N0 Sc1B C1B 102.1(3) . .
C4B Sc1B C1B 52.6(3) . .
C6B Sc1B C1B 87.6(4) . .
C43 Sc1B C1B 129.6(4) . .
C3B Sc1B C1B 52.2(3) . .
C7B Sc1B C1B 118.1(3) . .
C8B Sc1B C1B 114.1(4) . .
C9B Sc1B C1B 84.7(4) . .
C5B Sc1B C1B 30.06(19) . .
C13B Sc1B C1B 93.5(3) . .
C2B Sc1B C1B 29.60(18) . .
C70D C65D C66D 125.2(12) . .
C70D C65D C1B 113.6(12) . .
C66D C65D C1B 115.6(9) . .
C70D C65D Sc1D 90.8(9) . .
C66D C65D Sc1D 57.8(6) . .
C1B C65D Sc1D 100.8(9) . .
C65D C66D C68D 120.6(9) . .
C65D C66D C85D 120.5(8) . .
C68D C66D C85D 108.5(4) . .
C65D C66D Sc1D 91.3(8) . .
C68D C66D Sc1D 79.4(6) . .
C85D C66D Sc1D 65.9(5) . .
C45B C67D C71D 118.1(12) . .
C45B C67D C40B 121.3(12) . .
C71D C67D C40B 114.5(11) . .
C66D C68D C74D 107.7(4) . .
C66D C68D C34B 123.2(8) . .
C74D C68D C34B 122.5(8) . .
C66D C68D Sc1D 66.1(5) . .
C74D C68D Sc1D 71.7(5) . .
C34B C68D Sc1D 104.4(7) . .
C73D C69D C33B 120.5(8) . .
C73D C69D C45B 123.5(12) . .
C33B C69D C45B 105.4(10) . .
C44B C70D C65D 124.7(14) . .
C44B C70D C79D 111.9(12) . .
C65D C70D C79D 114.8(12) . .
C67D C71D C81D 120.2(9) . .
C67D C71D C72D 121.3(9) . .
C81D C71D C72D 107.9(4) . .
C73D C72D C71D 120.9(9) . .
C73D C72D C83D 121.4(9) . .
C71D C72D C83D 107.9(4) . .
C69D C73D C72D 113.8(11) . .
C69D C73D C74D 123.2(9) . .
C72D C73D C74D 116.4(9) . .
C73D C74D C86D 126.2(9) . .
C73D C74D C68D 116.7(8) . .
C86D C74D C68D 107.9(4) . .
C73D C74D Sc1D 99.2(8) . .
C86D C74D Sc1D 64.9(5) . .
C68D C74D Sc1D 74.3(5) . .
C37B C75D C91D 120.4(12) . .
C37B C75D C76D 114.7(12) . .
C91D C75D C76D 118.2(13) . .
C77D C76D C75D 118.7(12) . .
C77D C76D C41B 127.0(12) . .
C75D C76D C41B 103.3(10) . .
C76D C77D C78D 113.1(12) . .
C76D C77D C98D 122.4(13) . .
C78D C77D C98D 116.1(11) . .
C77D C78D C79D 126.3(12) . .
C77D C78D C39B 122.2(12) . .
C79D C78D C39B 102.6(10) . .
C84D C79D C78D 115.6(10) . .
C84D C79D C70D 123.4(10) . .
C78D C79D C70D 108.2(11) . .
C84D C79D Sc1D 55.0(7) . .
C78D C79D Sc1D 102.1(8) . .
C70D C79D Sc1D 82.8(8) . .
C90D C80D C81D 123.9(10) . .
C90D C80D C43B 113.1(9) . .
C81D C80D C43B 114.9(10) . .
C80D C81D C71D 125.7(9) . .
C80D C81D C82D 117.3(9) . .
C71D C81D C82D 108.4(4) . .
C94D C82D C81D 123.1(9) . .
C94D C82D C83D 120.6(9) . .
C81D C82D C83D 108.0(4) . .
C87D C83D C82D 123.5(9) . .
C87D C83D C72D 120.5(9) . .
C82D C83D C72D 107.9(4) . .
C79D C84D C99D 120.4(10) . .
C79D C84D C85D 117.7(9) . .
C99D C84D C85D 115.9(9) . .
C79D C84D Sc1D 95.6(8) . .
C99D C84D Sc1D 86.6(7) . .
C85D C84D Sc1D 62.9(7) . .
C86D C85D C66D 107.6(4) . .
C86D C85D C84D 120.4(9) . .
C66D C85D C84D 117.1(8) . .
C86D C85D Sc1D 74.5(6) . .
C66D C85D Sc1D 76.8(5) . .
C84D C85D Sc1D 79.5(8) . .
C74D C86D C85D 108.2(4) . .
C74D C86D C87D 114.1(9) . .
C85D C86D C87D 122.8(9) . .
C74D C86D Sc1D 79.8(5) . .
C85D C86D Sc1D 67.7(5) . .
C87D C86D Sc1D 83.6(7) . .
C83D C87D C95D 116.1(10) . .
C83D C87D C86D 121.1(11) . .
C95D C87D C86D 115.5(9) . .
C83D C87D Sc1D 98.5(8) . .
C95D C87D Sc1D 83.6(7) . .
C86D C87D Sc1D 61.5(6) . .
C38B C88D C89D 116.1(9) . .
C38B C88D C92D 124.5(9) . .
C89D C88D C92D 108.0(4) . .
C38B C88D Sc3B 87.9(7) . .
C89D C88D Sc3B 75.5(5) . .
C92D C88D Sc3B 71.8(4) . .
C88D C89D C90D 107.8(4) . .
C88D C89D C30B 125.7(8) . .
C90D C89D C30B 115.2(8) . .
C88D C89D Sc3B 64.0(4) . .
C90D C89D Sc3B 76.8(4) . .
C30B C89D Sc3B 95.0(8) . .
C80D C90D C93D 114.3(9) . .
C80D C90D C89D 127.8(9) . .
C93D C90D C89D 107.7(4) . .
C80D C90D Sc3B 101.6(8) . .
C93D C90D Sc3B 69.6(4) . .
C89D C90D Sc3B 65.5(4) . .
C75D C91D C97D 124.4(13) . .
C75D C91D C92D 121.1(12) . .
C97D C91D C92D 104.9(12) . .
C75D C91D Sc3B 88.4(9) . .
C97D C91D Sc3B 95.9(10) . .
C92D C91D Sc3B 53.6(7) . .
C91D C92D C93D 128.6(10) . .
C91D C92D C88D 114.2(9) . .
C93D C92D C88D 107.8(4) . .
C91D C92D Sc3B 93.0(9) . .
C93D C92D Sc3B 77.6(4) . .
C88D C92D Sc3B 66.6(4) . .
C94D C93D C92D 119.7(10) . .
C94D C93D C90D 124.2(10) . .
C92D C93D C90D 108.6(4) . .
C94D C93D Sc3B 103.2(8) . .
C92D C93D Sc3B 63.8(4) . .
C90D C93D Sc3B 73.6(4) . .
C93D C94D C82D 117.3(11) . .
C93D C94D C96D 115.7(12) . .
C82D C94D C96D 117.8(11) . .
C87D C95D C99D 122.0(7) . .
C87D C95D C96D 120.7(8) . .
C99D C95D C96D 108.0(4) . .
C87D C95D Sc1D 65.4(6) . .
C99D C95D Sc1D 72.3(5) . .
C96D C95D Sc1D 106.6(5) . .
C94D C96D C97D 121.8(10) . .
C94D C96D C95D 121.3(10) . .
C97D C96D C95D 107.8(4) . .
C91D C97D C98D 114.6(10) . .
C91D C97D C96D 128.6(11) . .
C98D C97D C96D 108.2(4) . .
C77D C98D C97D 121.4(10) . .
C77D C98D C99D 121.7(10) . .
C97D C98D C99D 108.2(4) . .
C84D C99D C95D 122.6(7) . .
C84D C99D C98D 119.9(8) . .
C95D C99D C98D 107.8(4) . .
C84D C99D Sc1D 61.4(7) . .
C95D C99D Sc1D 77.4(5) . .
C98D C99D Sc1D 105.3(5) . .
N0 Sc1D C85D 166.7(6) . .
N0 Sc1D C86D 155.4(6) . .
C85D Sc1D C86D 37.9(3) . .
N0 Sc1D C66D 136.4(6) . .
C85D Sc1D C66D 37.3(3) . .
C86D Sc1D C66D 61.1(3) . .
N0 Sc1D C84D 133.3(6) . .
C85D Sc1D C84D 37.6(4) . .
C86D Sc1D C84D 66.0(4) . .
C66D Sc1D C84D 64.0(4) . .
N0 Sc1D C74D 130.2(6) . .
C85D Sc1D C74D 60.2(3) . .
C86D Sc1D C74D 35.2(3) . .
C66D Sc1D C74D 58.3(3) . .
C84D Sc1D C74D 96.5(4) . .
N0 Sc1D C68D 122.9(6) . .
C85D Sc1D C68D 59.7(3) . .
C86D Sc1D C68D 58.6(3) . .
C66D Sc1D C68D 34.6(2) . .
C84D Sc1D C68D 95.0(4) . .
C74D Sc1D C68D 34.0(2) . .
N0 Sc1D C87D 126.3(5) . .
C85D Sc1D C87D 64.8(4) . .
C86D Sc1D C87D 34.9(3) . .
C66D Sc1D C87D 95.4(4) . .
C84D Sc1D C87D 74.2(5) . .
C74D Sc1D C87D 58.3(4) . .
C68D Sc1D C87D 90.0(5) . .
N0 Sc1D C99D 118.0(5) . .
C85D Sc1D C99D 59.8(4) . .
C86D Sc1D C99D 69.0(4) . .
C66D Sc1D C99D 93.8(4) . .
C84D Sc1D C99D 32.0(3) . .
C74D Sc1D C99D 104.3(5) . .
C68D Sc1D C99D 118.9(4) . .
C87D Sc1D C99D 57.1(3) . .
N0 Sc1D C65D 110.3(5) . .
C85D Sc1D C65D 59.1(4) . .
C86D Sc1D C65D 90.9(4) . .
C66D Sc1D C65D 30.8(3) . .
C84D Sc1D C65D 66.8(4) . .
C74D Sc1D C65D 86.9(4) . .
C68D Sc1D C65D 56.1(4) . .
C87D Sc1D C65D 123.5(5) . .
C99D Sc1D C65D 98.3(5) . .
N0 Sc1D C95D 115.5(5) . .
C85D Sc1D C95D 69.7(4) . .
C86D Sc1D C95D 57.3(4) . .
C66D Sc1D C95D 106.9(5) . .
C84D Sc1D C95D 57.8(3) . .
C74D Sc1D C95D 88.0(4) . .
C68D Sc1D C95D 116.0(4) . .
C87D Sc1D C95D 31.0(3) . .
C99D Sc1D C95D 30.3(2) . .
C65D Sc1D C95D 123.3(5) . .
N0 Sc1D C79D 110.8(5) . .
C85D Sc1D C79D 56.7(4) . .
C86D Sc1D C79D 92.2(5) . .
C66D Sc1D C79D 64.2(4) . .
C84D Sc1D C79D 29.4(3) . .
C74D Sc1D C79D 115.5(4) . .
C68D Sc1D C79D 98.7(4) . .
C87D Sc1D C79D 103.3(5) . .
C99D Sc1D C79D 52.5(3) . .
C65D Sc1D C79D 50.3(4) . .
C95D Sc1D C79D 82.5(4) . .
C43 Sc3B C88D 131.9(4) . .
C43 Sc3B C92D 160.8(5) . .
C88D Sc3B C92D 41.6(3) . .
C43 Sc3B N0 32.6(3) . .
C88D Sc3B N0 161.4(3) . .
C92D Sc3B N0 146.4(4) . .
C43 Sc3B C89D 121.1(4) . .
C88D Sc3B C89D 40.5(3) . .
C92D Sc3B C89D 67.2(3) . .
N0 Sc3B C89D 145.2(4) . .
C43 Sc3B C93D 159.3(5) . .
C88D Sc3B C93D 66.2(3) . .
C92D Sc3B C93D 38.5(2) . .
N0 Sc3B C93D 131.5(3) . .
C89D Sc3B C93D 63.9(3) . .
C43 Sc3B C90D 133.7(5) . .
C88D Sc3B C90D 65.4(3) . .
C92D Sc3B C90D 64.3(3) . .
N0 Sc3B C90D 131.2(3) . .
C89D Sc3B C90D 37.8(2) . .
C93D Sc3B C90D 36.8(2) . .
C43 Sc3B C38B 98.8(5) . .
C88D Sc3B C38B 35.9(4) . .
C92D Sc3B C38B 68.3(5) . .
N0 Sc3B C38B 125.5(4) . .
C89D Sc3B C38B 63.9(4) . .
C93D Sc3B C38B 101.0(5) . .
C90D Sc3B C38B 98.2(4) . .
C43 Sc3B C91D 129.7(5) . .
C88D Sc3B C91D 62.1(5) . .
C92D Sc3B C91D 33.5(4) . .
N0 Sc3B C91D 116.8(4) . .
C89D Sc3B C91D 97.9(4) . .
C93D Sc3B C91D 64.1(4) . .
C90D Sc3B C91D 96.6(4) . .
C38B Sc3B C91D 69.4(4) . .
C43 Sc3B C30B 88.6(4) . .
C88D Sc3B C30B 64.9(4) . .
C92D Sc3B C30B 99.4(4) . .
N0 Sc3B C30B 114.0(3) . .
C89D Sc3B C30B 32.8(4) . .
C93D Sc3B C30B 92.8(4) . .
C90D Sc3B C30B 58.3(4) . .
C38B Sc3B C30B 69.5(4) . .
C91D Sc3B C30B 126.9(4) . .
C43 Sc3B Sc1D 65.9(3) . .
C88D Sc3B Sc1D 154.9(4) . .
C92D Sc3B Sc1D 115.0(4) . .
N0 Sc3B Sc1D 33.56(18) . .
C89D Sc3B Sc1D 154.3(4) . .
C93D Sc3B Sc1D 101.0(3) . .
C90D Sc3B Sc1D 118.0(3) . .
C38B Sc3B Sc1D 141.7(3) . .
C91D Sc3B Sc1D 93.0(4) . .
C30B Sc3B Sc1D 139.6(3) . .
C1P C1P C2P 106.2(3) 6 .
C1P C1P C12P 128.9(3) 6 .
C2P C1P C12P 124.8(4) . .
N3P C2P C3P 124.7(4) . .
N3P C2P C1P 111.8(4) . .
C3P C2P C1P 123.5(4) . .
C4P C3P C2P 124.4(4) . .
C4P C3P H3P 117.8 . .
C2P C3P H3P 117.8 . .
N2P C4P C3P 125.0(4) . .
N2P C4P C5P 111.9(4) . .
C3P C4P C5P 123.0(4) . .
C6P C5P C4P 105.8(4) . .
C6P C5P C14P 129.2(4) . .
C4P C5P C14P 124.9(4) . .
C5P C6P C7P 107.5(4) . .
C5P C6P C15P 129.1(4) . .
C7P C6P C15P 123.4(4) . .
C8P C7P N2P 124.3(4) . .
C8P C7P C6P 125.4(4) . .
N2P C7P C6P 110.1(4) . .
C7P C8P C9P 125.7(4) . .
C7P C8P H8P 117.2 . .
C9P C8P H8P 117.2 . .
C8P C9P N1P 124.3(4) . .
C8P C9P C10P 124.6(4) . .
N1P C9P C10P 111.0(4) . .
C10P C10P C9P 107.1(2) 6 .
C10P C10P C17P 129.2(3) 6 .
C9P C10P C17P 123.5(4) . .
C12P C11P H11A 109.5 . .
C12P C11P H11B 109.5 . .
H11A C11P H11B 109.5 . .
C12P C11P H11C 109.5 . .
H11A C11P H11C 109.5 . .
H11B C11P H11C 109.5 . .
C1P C12P C11P 113.2(4) . .
C1P C12P H12A 108.9 . .
C11P C12P H12A 108.9 . .
C1P C12P H12B 108.9 . .
C11P C12P H12B 108.9 . .
H12A C12P H12B 107.8 . .
C14P C13P H13A 109.5 . .
C14P C13P H13B 109.5 . .
H13A C13P H13B 109.5 . .
C14P C13P H13C 109.5 . .
H13A C13P H13C 109.5 . .
H13B C13P H13C 109.5 . .
C5P C14P C13P 113.0(4) . .
C5P C14P H14A 109.0 . .
C13P C14P H14A 109.0 . .
C5P C14P H14B 109.0 . .
C13P C14P H14B 109.0 . .
H14A C14P H14B 107.8 . .
C6P C15P C16P 112.3(4) . .
C6P C15P H15A 109.1 . .
C16P C15P H15A 109.1 . .
C6P C15P H15B 109.1 . .
C16P C15P H15B 109.1 . .
H15A C15P H15B 107.9 . .
C15P C16P H16A 109.5 . .
C15P C16P H16B 109.5 . .
H16A C16P H16B 109.5 . .
C15P C16P H16C 109.5 . .
H16A C16P H16C 109.5 . .
H16B C16P H16C 109.5 . .
C10P C17P C18P 111.3(4) . .
C10P C17P H17A 109.4 . .
C18P C17P H17A 109.4 . .
C10P C17P H17B 109.4 . .
C18P C17P H17B 109.4 . .
H17A C17P H17B 108.0 . .
C17P C18P H18A 109.5 . .
C17P C18P H18B 109.5 . .
H18A C18P H18B 109.5 . .
C17P C18P H18C 109.5 . .
H18A C18P H18C 109.5 . .
H18B C18P H18C 109.5 . .
C4P N2P C7P 104.6(4) . .
C4P N2P Ni1 127.9(3) . .
C7P N2P Ni1 127.5(3) . .
C9P N1P C9P 103.7(5) . 6
C9P N1P Ni1 128.0(2) . .
C9P N1P Ni1 128.0(2) 6 .
C2P N3P C2P 104.1(5) 6 .
C2P N3P Ni1 127.9(3) 6 .
C2P N3P Ni1 127.9(3) . .
N1P Ni1 N3P 176.97(19) . .
N1P Ni1 N2P 90.02(10) . .
N3P Ni1 N2P 89.91(10) . .
N1P Ni1 N2P 90.02(10) . 6
N3P Ni1 N2P 89.91(10) . 6
N2P Ni1 N2P 177.3(2) . 6
C5S C4S C9S 121.3(11) . .
C5S C4S H4S 119.3 . .
C9S C4S H4S 119.3 . .
C4S C5S C6S 119.2(10) . .
C4S C5S H5S 120.4 . .
C6S C5S H5S 120.4 . .
C5S C6S C7S 121.3(10) . .
C5S C6S H6S 119.3 . .
C7S C6S H6S 119.3 . .
C8S C7S C6S 119.6(12) . .
C8S C7S H7S 120.2 . .
C6S C7S H7S 120.2 . .
C7S C8S C9S 119.1(10) . .
C7S C8S H8S 120.5 . .
C9S C8S H8S 120.5 . .
C8S C9S C4S 119.4(9) . .
C8S C9S H9S 120.3 . .
C4S C9S H9S 120.3 . .
C3S C1S C2S 116.7(13) . .
C3S C1S H1S 121.7 . .
C2S C1S H1S 121.7 . .
C3S C2S C1S 119.9(14) 2_655 .
C3S C2S H2S 120.1 2_655 .
C1S C2S H2S 120.1 . .
C1S C3S C2S 122.9(12) . 2_655
C1S C3S H3S 118.5 . .
C2S C3S H3S 118.5 2_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N0 C43 1.193(11) 6
N0 C43 1.193(11) .
N0 Sc1D 2.072(8) 6
N0 Sc1D 2.072(8) .
N0 Sc1B 2.138(5) .
N0 Sc1B 2.138(5) 6
N0 Sc3B 2.182(6) .
N0 Sc3B 2.182(6) 6
C43 Sc3B 2.048(11) .
C43 Sc1B 2.252(12) .
C1B C2B 1.433(7) .
C1B C5B 1.444(7) .
C1B C65D 1.526(17) .
C1B Sc1B 2.875(13) .
C2B C34B 1.421(15) .
C2B C3B 1.439(7) .
C2B Sc1B 2.692(13) .
C3B C4B 1.442(7) .
C3B C9B 1.497(14) .
C3B Sc1B 2.258(13) .
C4B C6B 1.409(13) .
C4B C5B 1.439(7) .
C4B Sc1B 2.191(12) .
C5B C15B 1.412(14) .
C5B Sc1B 2.596(12) .
C6B C7B 1.425(7) .
C6B C13B 1.442(13) .
C6B Sc1B 2.190(13) .
C7B C8B 1.437(6) .
C7B C10B 1.442(7) .
C7B Sc1B 2.258(12) .
C8B C9B 1.435(14) .
C8B C12B 1.432(7) .
C8B Sc1B 2.315(12) .
C9B C32B 1.396(13) .
C9B Sc1B 2.392(19) .
C10B C17B 1.420(13) .
C10B C11B 1.432(7) .
C11B C20B 1.437(12) .
C11B C12B 1.440(7) .
C12B C25B 1.398(13) .
C13B C14B 1.439(6) .
C13B C16B 1.442(7) .
C13B Sc1B 2.670(12) .
C14B C19B 1.437(7) .
C14B C15B 1.455(14) .
C15B C44B 1.433(18) .
C16B C17B 1.384(13) .
C16B C18B 1.435(7) .
C17B C22B 1.431(13) .
C18B C27B 1.421(14) .
C18B C19B 1.441(7) .
C19B C42B 1.449(13) .
C20B C23B 1.412(13) .
C20B C21B 1.452(13) .
C21B C22B 1.427(6) .
C21B C29B 1.439(7) .
C22B C26B 1.434(7) .
C23B C24B 1.438(6) .
C23B C31B 1.446(7) .
C24B C25B 1.435(7) .
C24B C40B 1.442(7) .
C25B C35B 1.421(12) .
C26B C27B 1.395(13) .
C26B C28B 1.438(7) .
C27B C36B 1.402(15) .
C28B C29B 1.434(7) .
C28B C38B 1.444(14) .
C29B C30B 1.427(13) .
C30B C31B 1.395(14) .
C30B C89D 1.526(17) .
C30B Sc3B 2.808(15) .
C31B C43B 1.438(7) .
C32B C35B 1.434(7) .
C32B C33B 1.438(7) .
C33B C69D 1.446(17) .
C33B C34B 1.423(12) .
C34B C68D 1.51(2) .
C35B C45B 1.439(8) .
C36B C37B 1.431(15) .
C36B C41B 1.469(16) .
C37B C75D 1.36(2) .
C37B C38B 1.434(12) .
C38B C88D 1.457(17) .
C38B Sc3B 2.484(13) .
C39B C42B 1.406(14) .
C39B C44B 1.444(13) .
C39B C78D 1.505(19) .
C40B C43B 1.438(7) .
C40B C67D 1.456(15) .
C41B C42B 1.373(15) .
C41B C76D 1.48(4) .
C43B C80D 1.438(13) .
C44B C70D 1.35(2) .
C45B C67D 1.254(17) .
C45B C69D 1.468(17) .
C65D C70D 1.394(15) .
C65D C66D 1.399(13) .
C65D Sc1D 2.729(16) .
C66D C68D 1.434(8) .
C66D C85D 1.438(8) .
C66D Sc1D 2.311(13) .
C67D C71D 1.439(13) .
C68D C74D 1.443(8) .
C68D Sc1D 2.484(15) .
C69D C73D 1.402(14) .
C70D C79D 1.456(13) .
C71D C81D 1.428(9) .
C71D C72D 1.438(9) .
C72D C73D 1.401(12) .
C72D C83D 1.438(9) .
C73D C74D 1.410(12) .
C74D C86D 1.437(8) .
C74D Sc1D 2.451(16) .
C75D C91D 1.426(14) .
C75D C76D 1.418(19) .
C76D C77D 1.402(14) .
C77D C78D 1.409(14) .
C77D C98D 1.409(13) .
C78D C79D 1.452(12) .
C79D C84D 1.431(13) .
C79D Sc1D 2.904(16) .
C80D C90D 1.415(13) .
C80D C81D 1.414(13) .
C81D C82D 1.432(8) .
C82D C94D 1.405(14) .
C82D C83D 1.435(9) .
C83D C87D 1.396(13) .
C84D C99D 1.444(11) .
C84D C85D 1.483(14) .
C84D Sc1D 2.391(18) .
C85D C86D 1.437(7) .
C85D Sc1D 2.165(13) .
C86D C87D 1.467(13) .
C86D Sc1D 2.255(13) .
C87D C95D 1.446(12) .
C87D Sc1D 2.549(16) .
C88D C89D 1.494(9) .
C88D C92D 1.495(9) .
C88D Sc3B 2.066(11) .
C89D C90D 1.499(9) .
C89D Sc3B 2.226(11) .
C90D C93D 1.487(9) .
C90D Sc3B 2.383(11) .
C91D C97D 1.434(15) .
C91D C92D 1.466(14) .
C91D Sc3B 2.655(17) .
C92D C93D 1.485(9) .
C92D Sc3B 2.139(10) .
C93D C94D 1.380(14) .
C93D Sc3B 2.328(10) .
C94D C96D 1.419(14) .
C95D C99D 1.438(8) .
C95D C96D 1.446(8) .
C95D Sc1D 2.786(14) .
C96D C97D 1.443(8) .
C97D C98D 1.431(8) .
C98D C99D 1.447(7) .
C99D Sc1D 2.720(15) .
C1P C1P 1.353(9) 6
C1P C2P 1.450(6) .
C1P C12P 1.484(6) .
C2P N3P 1.371(5) .
C2P C3P 1.385(6) .
C3P C4P 1.373(6) .
C3P H3P 0.9300 .
C4P N2P 1.367(5) .
C4P C5P 1.445(6) .
C5P C6P 1.360(7) .
C5P C14P 1.502(7) .
C6P C7P 1.440(6) .
C6P C15P 1.527(6) .
C7P C8P 1.355(6) .
C7P N2P 1.398(5) .
C8P C9P 1.370(6) .
C8P H8P 0.9300 .
C9P N1P 1.385(5) .
C9P C10P 1.450(6) .
C10P C10P 1.326(9) 6
C10P C17P 1.507(6) .
C11P C12P 1.539(8) .
C11P H11A 0.9600 .
C11P H11B 0.9600 .
C11P H11C 0.9600 .
C12P H12A 0.9700 .
C12P H12B 0.9700 .
C13P C14P 1.529(8) .
C13P H13A 0.9600 .
C13P H13B 0.9600 .
C13P H13C 0.9600 .
C14P H14A 0.9700 .
C14P H14B 0.9700 .
C15P C16P 1.522(8) .
C15P H15A 0.9700 .
C15P H15B 0.9700 .
C16P H16A 0.9600 .
C16P H16B 0.9600 .
C16P H16C 0.9600 .
C17P C18P 1.512(7) .
C17P H17A 0.9700 .
C17P H17B 0.9700 .
C18P H18A 0.9600 .
C18P H18B 0.9600 .
C18P H18C 0.9600 .
N2P Ni1 1.968(4) .
N1P C9P 1.385(5) 6
N1P Ni1 1.956(5) .
N3P C2P 1.371(5) 6
N3P Ni1 1.966(5) .
Ni1 N2P 1.968(4) 6
C4S C5S 1.337(13) .
C4S C9S 1.414(14) .
C4S H4S 0.9300 .
C5S C6S 1.364(17) .
C5S H5S 0.9300 .
C6S C7S 1.398(18) .
C6S H6S 0.9300 .
C7S C8S 1.375(15) .
C7S H7S 0.9300 .
C8S C9S 1.381(14) .
C8S H8S 0.9300 .
C9S H9S 0.9300 .
C1S C3S 1.359(16) .
C1S C2S 1.415(14) .
C1S H1S 0.9300 .
C2S C3S 1.39(2) 2_655
C2S H2S 0.9300 .
C3S C2S 1.39(2) 2_655
C3S H3S 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C43 N0 C43 Sc3B 8.2(10) 6 .
Sc1D N0 C43 Sc3B -179.5(5) 6 .
Sc1D N0 C43 Sc3B 80(5) . .
Sc1B N0 C43 Sc3B -176.0(4) . .
Sc1B N0 C43 Sc3B 69(8) 6 .
Sc3B N0 C43 Sc3B -6.3(8) 6 .
C43 N0 C43 Sc1B -175.8(8) 6 .
Sc1D N0 C43 Sc1B -3.5(4) 6 .
Sc1D N0 C43 Sc1B -104(5) . .
Sc1B N0 C43 Sc1B -115(8) 6 .
Sc3B N0 C43 Sc1B 176.0(4) . .
Sc3B N0 C43 Sc1B 169.7(12) 6 .
C5B C1B C2B C34B 151.8(11) . .
C65D C1B C2B C34B -1.7(15) . .
Sc1B C1B C2B C34B 100.4(9) . .
C5B C1B C2B C3B -0.1(2) . .
C65D C1B C2B C3B -153.6(14) . .
Sc1B C1B C2B C3B -51.5(4) . .
C5B C1B C2B Sc1B 51.3(4) . .
C65D C1B C2B Sc1B -102.1(12) . .
C34B C2B C3B C4B -149.5(12) . .
C1B C2B C3B C4B -0.2(2) . .
Sc1B C2B C3B C4B -67.7(5) . .
C34B C2B C3B C9B -6.5(15) . .
C1B C2B C3B C9B 142.9(11) . .
Sc1B C2B C3B C9B 75.4(10) . .
C34B C2B C3B Sc1B -81.9(10) . .
C1B C2B C3B Sc1B 67.5(5) . .
C2B C3B C4B C6B 139.7(11) . .
C9B C3B C4B C6B 4.1(14) . .
Sc1B C3B C4B C6B 56.1(9) . .
C2B C3B C4B C5B 0.4(4) . .
C9B C3B C4B C5B -135.2(13) . .
Sc1B C3B C4B C5B -83.1(6) . .
C2B C3B C4B Sc1B 83.5(5) . .
C9B C3B C4B Sc1B -52.0(11) . .
C6B C4B C5B C15B 6.2(15) . .
C3B C4B C5B C15B 146.5(12) . .
Sc1B C4B C5B C15B 74.1(11) . .
C6B C4B C5B C1B -140.7(11) . .
C3B C4B C5B C1B -0.5(5) . .
Sc1B C4B C5B C1B -72.8(6) . .
C6B C4B C5B Sc1B -67.9(9) . .
C3B C4B C5B Sc1B 72.3(5) . .
C2B C1B C5B C15B -149.2(12) . .
C65D C1B C5B C15B 5.1(14) . .
Sc1B C1B C5B C15B -95.7(11) . .
C2B C1B C5B C4B 0.4(4) . .
C65D C1B C5B C4B 154.7(13) . .
Sc1B C1B C5B C4B 54.0(5) . .
C2B C1B C5B Sc1B -53.6(5) . .
C65D C1B C5B Sc1B 100.8(10) . .
C5B C4B C6B C7B 137.9(10) . .
C3B C4B C6B C7B 2.4(15) . .
Sc1B C4B C6B C7B 59.7(10) . .
C5B C4B C6B C13B -3.8(14) . .
C3B C4B C6B C13B -139.3(10) . .
Sc1B C4B C6B C13B -82.0(10) . .
C5B C4B C6B Sc1B 78.2(7) . .
C3B C4B C6B Sc1B -57.3(7) . .
C4B C6B C7B C8B -2.9(15) . .
C13B C6B C7B C8B 141.1(9) . .
Sc1B C6B C7B C8B 55.5(8) . .
C4B C6B C7B C10B -146.5(10) . .
C13B C6B C7B C10B -2.6(15) . .
Sc1B C6B C7B C10B -88.2(8) . .
C4B C6B C7B Sc1B -58.3(10) . .
C13B C6B C7B Sc1B 85.6(10) . .
C6B C7B C8B C9B -3.4(15) . .
C10B C7B C8B C9B 145.4(13) . .
Sc1B C7B C8B C9B 49.7(12) . .
C6B C7B C8B C12B -148.9(11) . .
C10B C7B C8B C12B 0.0(2) . .
Sc1B C7B C8B C12B -95.8(5) . .
C6B C7B C8B Sc1B -53.1(9) . .
C10B C7B C8B Sc1B 95.8(6) . .
C12B C8B C9B C32B 2(2) . .
C7B C8B C9B C32B -141.7(12) . .
Sc1B C8B C9B C32B -94.1(15) . .
C12B C8B C9B C3B 152.1(9) . .
C7B C8B C9B C3B 8.5(18) . .
Sc1B C8B C9B C3B 56.1(10) . .
C12B C8B C9B Sc1B 96.0(7) . .
C7B C8B C9B Sc1B -47.6(10) . .
C2B C3B C9B C32B 6(2) . .
C4B C3B C9B C32B 140.3(13) . .
Sc1B C3B C9B C32B 91.2(16) . .
C2B C3B C9B C8B -143.1(10) . .
C4B C3B C9B C8B -8.7(17) . .
Sc1B C3B C9B C8B -57.9(10) . .
C2B C3B C9B Sc1B -85.3(7) . .
C4B C3B C9B Sc1B 49.1(9) . .
C6B C7B C10B C17B 4.1(14) . .
C8B C7B C10B C17B -143.3(12) . .
Sc1B C7B C10B C17B -67.1(10) . .
C6B C7B C10B C11B 147.4(12) . .
C8B C7B C10B C11B 0.0(4) . .
Sc1B C7B C10B C11B 76.2(6) . .
C17B C10B C11B C20B -0.4(14) . .
C7B C10B C11B C20B -144.5(11) . .
C17B C10B C11B C12B 144.1(12) . .
C7B C10B C11B C12B 0.0(5) . .
C9B C8B C12B C25B -3.0(15) . .
C7B C8B C12B C25B 147.8(13) . .
Sc1B C8B C12B C25B 75.8(11) . .
C9B C8B C12B C11B -150.8(13) . .
C7B C8B C12B C11B 0.0(2) . .
Sc1B C8B C12B C11B -72.0(6) . .
C10B C11B C12B C25B -149.9(12) . .
C20B C11B C12B C25B -5.0(15) . .
C10B C11B C12B C8B 0.0(4) . .
C20B C11B C12B C8B 144.9(12) . .
C4B C6B C13B C14B -0.5(15) . .
C7B C6B C13B C14B -143.8(9) . .
Sc1B C6B C13B C14B -70.3(8) . .
C4B C6B C13B C16B 146.5(9) . .
C7B C6B C13B C16B 3.2(15) . .
Sc1B C6B C13B C16B 76.7(9) . .
C4B C6B C13B Sc1B 69.8(10) . .
C7B C6B C13B Sc1B -73.5(9) . .
C6B C13B C14B C19B 151.4(11) . .
C16B C13B C14B C19B 0.0(2) . .
Sc1B C13B C14B C19B 100.7(6) . .
C6B C13B C14B C15B 3.0(14) . .
C16B C13B C14B C15B -148.3(11) . .
Sc1B C13B C14B C15B -47.7(10) . .
C4B C5B C15B C44B -151.1(11) . .
C1B C5B C15B C44B -7.3(18) . .
Sc1B C5B C15B C44B -96.2(12) . .
C4B C5B C15B C14B -3.6(18) . .
C1B C5B C15B C14B 140.1(11) . .
Sc1B C5B C15B C14B 51.2(12) . .
C19B C14B C15B C5B -144.2(11) . .
C13B C14B C15B C5B -1.0(16) . .
C19B C14B C15B C44B 3.7(18) . .
C13B C14B C15B C44B 147.0(11) . .
C6B C13B C16B C17B -5.5(14) . .
C14B C13B C16B C17B 145.6(12) . .
Sc1B C13B C16B C17B 48.3(11) . .
C6B C13B C16B C18B -151.1(12) . .
C14B C13B C16B C18B 0.1(2) . .
Sc1B C13B C16B C18B -97.2(6) . .
C18B C16B C17B C10B 148.2(11) . .
C13B C16B C17B C10B 6.4(17) . .
C18B C16B C17B C22B -2.9(17) . .
C13B C16B C17B C22B -144.7(10) . .
C11B C10B C17B C16B -145.1(11) . .
C7B C10B C17B C16B -5.7(17) . .
C11B C10B C17B C22B 5.9(17) . .
C7B C10B C17B C22B 145.3(10) . .
C17B C16B C18B C27B 0.2(15) . .
C13B C16B C18B C27B 146.8(12) . .
C17B C16B C18B C19B -146.8(13) . .
C13B C16B C18B C19B -0.1(4) . .
C13B C14B C19B C18B -0.1(4) . .
C15B C14B C19B C18B 146.5(13) . .
C13B C14B C19B C42B -149.4(11) . .
C15B C14B C19B C42B -2.8(15) . .
C27B C18B C19B C14B -148.5(12) . .
C16B C18B C19B C14B 0.1(5) . .
C27B C18B C19B C42B -2.5(16) . .
C16B C18B C19B C42B 146.1(13) . .
C10B C11B C20B C23B 149.0(10) . .
C12B C11B C20B C23B 8.9(17) . .
C10B C11B C20B C21B -8.9(16) . .
C12B C11B C20B C21B -149.0(10) . .
C23B C20B C21B C22B -146.5(10) . .
C11B C20B C21B C22B 12.1(15) . .
C23B C20B C21B C29B -10.1(16) . .
C11B C20B C21B C29B 148.6(10) . .
C29B C21B C22B C26B 0.2(2) . .
C20B C21B C22B C26B 142.6(10) . .
C29B C21B C22B C17B -149.2(12) . .
C20B C21B C22B C17B -6.8(14) . .
C16B C17B C22B C21B 148.3(11) . .
C10B C17B C22B C21B -2.2(18) . .
C16B C17B C22B C26B 2.4(17) . .
C10B C17B C22B C26B -148.1(11) . .
C11B C20B C23B C24B -7.6(16) . .
C21B C20B C23B C24B 150.9(9) . .
C11B C20B C23B C31B -146.4(10) . .
C21B C20B C23B C31B 12.1(15) . .
C20B C23B C24B C25B 2.6(13) . .
C31B C23B C24B C25B 146.5(11) . .
C20B C23B C24B C40B -143.9(11) . .
C31B C23B C24B C40B 0.0(2) . .
C8B C12B C25B C35B 2.4(18) . .
C11B C12B C25B C35B 147.1(11) . .
C8B C12B C25B C24B -144.7(10) . .
C11B C12B C25B C24B 0.0(18) . .
C23B C24B C25B C12B 1.3(17) . .
C40B C24B C25B C12B 143.0(11) . .
C23B C24B C25B C35B -148.3(9) . .
C40B C24B C25B C35B -6.6(16) . .
C21B C22B C26B C27B -149.6(14) . .
C17B C22B C26B C27B 1.0(15) . .
C21B C22B C26B C28B -0.3(4) . .
C17B C22B C26B C28B 150.2(12) . .
C22B C26B C27B C36B 144.2(12) . .
C28B C26B C27B C36B -1.0(19) . .
C22B C26B C27B C18B -3.5(17) . .
C28B C26B C27B C18B -148.8(10) . .
C16B C18B C27B C26B 3.0(17) . .
C19B C18B C27B C26B 146.5(11) . .
C16B C18B C27B C36B -145.7(12) . .
C19B C18B C27B C36B -2.3(18) . .
C27B C26B C28B C29B 150.0(13) . .
C22B C26B C28B C29B 0.4(5) . .
C27B C26B C28B C38B 4.9(14) . .
C22B C26B C28B C38B -144.7(11) . .
C38B C28B C29B C30B 1.3(15) . .
C26B C28B C29B C30B -140.9(12) . .
C38B C28B C29B C21B 141.9(11) . .
C26B C28B C29B C21B -0.3(4) . .
C22B C21B C29B C30B 144.0(11) . .
C20B C21B C29B C30B 4.4(13) . .
C22B C21B C29B C28B 0.1(2) . .
C20B C21B C29B C28B -139.5(12) . .
C28B C29B C30B C31B 137.2(12) . .
C21B C29B C30B C31B -0.6(18) . .
C28B C29B C30B C89D -7.8(16) . .
C21B C29B C30B C89D -145.6(9) . .
C28B C29B C30B Sc3B 40.4(9) . .
C21B C29B C30B Sc3B -97.5(7) . .
C29B C30B C31B C43B -143.2(11) . .
C89D C30B C31B C43B 0.8(17) . .
Sc3B C30B C31B C43B -50.1(10) . .
C29B C30B C31B C23B 2.6(18) . .
C89D C30B C31B C23B 146.6(9) . .
Sc3B C30B C31B C23B 95.6(8) . .
C20B C23B C31B C30B -8.7(13) . .
C24B C23B C31B C30B -151.4(12) . .
C20B C23B C31B C43B 142.8(11) . .
C24B C23B C31B C43B 0.1(4) . .
C8B C9B C32B C35B 0(2) . .
C3B C9B C32B C35B -145.1(12) . .
Sc1B C9B C32B C35B -74.4(11) . .
C8B C9B C32B C33B 143.8(13) . .
C3B C9B C32B C33B -1(2) . .
Sc1B C9B C32B C33B 69.8(12) . .
C9B C32B C33B C69D -148.6(14) . .
C35B C32B C33B C69D 0.2(8) . .
C9B C32B C33B C34B -4.1(17) . .
C35B C32B C33B C34B 144.7(11) . .
C1B C2B C34B C33B -144.5(11) . .
C3B C2B C34B C33B 2.0(17) . .
Sc1B C2B C34B C33B -56.4(12) . .
C1B C2B C34B C68D 3.6(14) . .
C3B C2B C34B C68D 150.1(9) . .
Sc1B C2B C34B C68D 91.7(10) . .
C69D C33B C34B C2B 144.0(12) . .
C32B C33B C34B C2B 3.7(17) . .
C69D C33B C34B C68D -4.4(16) . .
C32B C33B C34B C68D -144.8(11) . .
C12B C25B C35B C32B -0.5(17) . .
C24B C25B C35B C32B 149.5(10) . .
C12B C25B C35B C45B -142.4(12) . .
C24B C25B C35B C45B 7.6(18) . .
C9B C32B C35B C25B -0.5(15) . .
C33B C32B C35B C25B -148.4(13) . .
C9B C32B C35B C45B 147.9(14) . .
C33B C32B C35B C45B 0.0(2) . .
C26B C27B C36B C37B -2(2) . .
C18B C27B C36B C37B 144.8(14) . .
C26B C27B C36B C41B -144.8(15) . .
C18B C27B C36B C41B 2(2) . .
C27B C36B C37B C75D -145.4(14) . .
C41B C36B C37B C75D 1.2(14) . .
C27B C36B C37B C38B 2(2) . .
C41B C36B C37B C38B 148.3(12) . .
C29B C28B C38B C37B -144.6(11) . .
C26B C28B C38B C37B -5.6(15) . .
C29B C28B C38B C88D 5.1(15) . .
C26B C28B C38B C88D 144.1(10) . .
C29B C28B C38B Sc3B -49.1(10) . .
C26B C28B C38B Sc3B 89.8(8) . .
C75D C37B C38B C28B 142.6(15) . .
C36B C37B C38B C28B 2.4(18) . .
C75D C37B C38B C88D -8.5(19) . .
C36B C37B C38B C88D -148.6(12) . .
C75D C37B C38B Sc3B 45.3(14) . .
C36B C37B C38B Sc3B -94.9(12) . .
C25B C24B C40B C43B -145.8(12) . .
C23B C24B C40B C43B 0.0(2) . .
C25B C24B C40B C67D 1.7(13) . .
C23B C24B C40B C67D 147.5(10) . .
C27B C36B C41B C42B 2(2) . .
C37B C36B C41B C42B -144.9(17) . .
C27B C36B C41B C76D 147.0(14) . .
C37B C36B C41B C76D -0.3(14) . .
C36B C41B C42B C39B 141.1(18) . .
C76D C41B C42B C39B -0.4(18) . .
C36B C41B C42B C19B -7(2) . .
C76D C41B C42B C19B -148.1(12) . .
C44B C39B C42B C41B -147.1(12) . .
C78D C39B C42B C41B -0.2(18) . .
C44B C39B C42B C19B -2.1(19) . .
C78D C39B C42B C19B 144.8(12) . .
C14B C19B C42B C41B 149.8(11) . .
C18B C19B C42B C41B 6.7(17) . .
C14B C19B C42B C39B 1.9(16) . .
C18B C19B C42B C39B -141.3(12) . .
C30B C31B C43B C80D 1.6(13) . .
C23B C31B C43B C80D -147.0(11) . .
C30B C31B C43B C40B 148.5(12) . .
C23B C31B C43B C40B -0.1(5) . .
C24B C40B C43B C80D 147.6(10) . .
C67D C40B C43B C80D 2.1(13) . .
C24B C40B C43B C31B 0.0(4) . .
C67D C40B C43B C31B -145.5(10) . .
C5B C15B C44B C70D 4.2(19) . .
C14B C15B C44B C70D -143.0(15) . .
C5B C15B C44B C39B 143.5(13) . .
C14B C15B C44B C39B -3.7(19) . .
C42B C39B C44B C70D 148.2(13) . .
C78D C39B C44B C70D -1.4(14) . .
C42B C39B C44B C15B 3.1(19) . .
C78D C39B C44B C15B -146.5(13) . .
C25B C35B C45B C67D -3.0(17) . .
C32B C35B C45B C67D -147.6(11) . .
C25B C35B C45B C69D 144.4(13) . .
C32B C35B C45B C69D -0.2(8) . .
C43 N0 Sc1B C4B -65(8) 6 .
C43 N0 Sc1B C4B -126.3(11) . .
Sc1D N0 Sc1B C4B -39(8) 6 .
Sc1D N0 Sc1B C4B 45.8(10) . .
Sc1B N0 Sc1B C4B 49.3(11) 6 .
Sc3B N0 Sc1B C4B -133.0(9) . .
Sc3B N0 Sc1B C4B -132.0(9) 6 .
C43 N0 Sc1B C6B 13(8) 6 .
C43 N0 Sc1B C6B -49.0(10) . .
Sc1D N0 Sc1B C6B 38(8) 6 .
Sc1D N0 Sc1B C6B 123.0(8) . .
Sc1B N0 Sc1B C6B 126.5(7) 6 .
Sc3B N0 Sc1B C6B -55.7(10) . .
Sc3B N0 Sc1B C6B -54.8(8) 6 .
C43 N0 Sc1B C43 62(7) 6 .
Sc1D N0 Sc1B C43 87(8) 6 .
Sc1D N0 Sc1B C43 172.1(9) . .
Sc1B N0 Sc1B C43 175.6(8) 6 .
Sc3B N0 Sc1B C43 -6.7(7) . .
Sc3B N0 Sc1B C43 -5.8(6) 6 .
C43 N0 Sc1B C3B -135(8) 6 .
C43 N0 Sc1B C3B 163.9(8) . .
Sc1D N0 Sc1B C3B -109(8) 6 .
Sc1D N0 Sc1B C3B -24.1(6) . .
Sc1B N0 Sc1B C3B -20.5(6) 6 .
Sc3B N0 Sc1B C3B 157.2(6) . .
Sc3B N0 Sc1B C3B 158.1(4) 6 .
C43 N0 Sc1B C7B 75(8) 6 .
C43 N0 Sc1B C7B 13.9(9) . .
Sc1D N0 Sc1B C7B 101(8) 6 .
Sc1D N0 Sc1B C7B -174.0(6) . .
Sc1B N0 Sc1B C7B -170.5(4) 6 .
Sc3B N0 Sc1B C7B 7.2(9) . .
Sc3B N0 Sc1B C7B 8.2(6) 6 .
C43 N0 Sc1B C8B 128(8) 6 .
C43 N0 Sc1B C8B 66.5(9) . .
Sc1D N0 Sc1B C8B 153(9) 6 .
Sc1D N0 Sc1B C8B -121.5(7) . .
Sc1B N0 Sc1B C8B -117.9(5) 6 .
Sc3B N0 Sc1B C8B 59.8(9) . .
Sc3B N0 Sc1B C8B 60.7(6) 6 .
C43 N0 Sc1B C9B 175(8) 6 .
C43 N0 Sc1B C9B 113.2(9) . .
Sc1D N0 Sc1B C9B -160(9) 6 .
Sc1D N0 Sc1B C9B -74.7(7) . .
Sc1B N0 Sc1B C9B -71.2(6) 6 .
Sc3B N0 Sc1B C9B 106.5(8) . .
Sc3B N0 Sc1B C9B 107.5(6) 6 .
C43 N0 Sc1B C5B -64(8) 6 .
C43 N0 Sc1B C5B -126.1(8) . .
Sc1D N0 Sc1B C5B -39(8) 6 .
Sc1D N0 Sc1B C5B 46.0(5) . .
Sc1B N0 Sc1B C5B 49.5(5) 6 .
Sc3B N0 Sc1B C5B -132.8(6) . .
Sc3B N0 Sc1B C5B -131.8(4) 6 .
C43 N0 Sc1B C13B 7(8) 6 .
C43 N0 Sc1B C13B -54.2(8) . .
Sc1D N0 Sc1B C13B 33(8) 6 .
Sc1D N0 Sc1B C13B 117.9(5) . .
Sc1B N0 Sc1B C13B 121.4(4) 6 .
Sc3B N0 Sc1B C13B -60.9(7) . .
Sc3B N0 Sc1B C13B -59.9(4) 6 .
C43 N0 Sc1B C2B -122(8) 6 .
C43 N0 Sc1B C2B 176.6(7) . .
Sc1D N0 Sc1B C2B -96(8) 6 .
Sc1D N0 Sc1B C2B -11.3(5) . .
Sc1B N0 Sc1B C2B -7.8(4) 6 .
Sc3B N0 Sc1B C2B 169.9(6) . .
Sc3B N0 Sc1B C2B 170.8(3) 6 .
C43 N0 Sc1B C1B -92(8) 6 .
C43 N0 Sc1B C1B -153.9(7) . .
Sc1D N0 Sc1B C1B -67(8) 6 .
Sc1D N0 Sc1B C1B 18.2(4) . .
Sc1B N0 Sc1B C1B 21.7(4) 6 .
Sc3B N0 Sc1B C1B -160.6(6) . .
Sc3B N0 Sc1B C1B -159.7(3) 6 .
C6B C4B Sc1B N0 120.4(10) . .
C5B C4B Sc1B N0 0.4(11) . .
C3B C4B Sc1B N0 -109.0(11) . .
C5B C4B Sc1B C6B -120.1(9) . .
C3B C4B Sc1B C6B 130.6(9) . .
C6B C4B Sc1B C43 49.9(13) . .
C5B C4B Sc1B C43 -70.2(10) . .
C3B C4B Sc1B C43 -179.5(10) . .
C6B C4B Sc1B C3B -130.6(9) . .
C5B C4B Sc1B C3B 109.3(4) . .
C6B C4B Sc1B C7B -32.0(6) . .
C5B C4B Sc1B C7B -152.1(6) . .
C3B C4B Sc1B C7B 98.6(6) . .
C6B C4B Sc1B C8B -69.2(7) . .
C5B C4B Sc1B C8B 170.7(6) . .
C3B C4B Sc1B C8B 61.4(5) . .
C6B C4B Sc1B C9B -105.7(7) . .
C5B C4B Sc1B C9B 134.2(6) . .
C3B C4B Sc1B C9B 24.9(5) . .
C6B C4B Sc1B C5B 120.1(9) . .
C3B C4B Sc1B C5B -109.3(4) . .
C6B C4B Sc1B C13B 32.8(6) . .
C5B C4B Sc1B C13B -87.2(6) . .
C3B C4B Sc1B C13B 163.4(6) . .
C6B C4B Sc1B C2B -168.3(8) . .
C5B C4B Sc1B C2B 71.6(3) . .
C3B C4B Sc1B C2B -37.7(2) . .
C6B C4B Sc1B C1B 155.2(9) . .
C5B C4B Sc1B C1B 35.1(2) . .
C3B C4B Sc1B C1B -74.2(3) . .
C4B C6B Sc1B N0 -128.5(8) . .
C7B C6B Sc1B N0 104.5(9) . .
C13B C6B Sc1B N0 -8.6(11) . .
C7B C6B Sc1B C4B -127.0(10) . .
C13B C6B Sc1B C4B 119.8(10) . .
C4B C6B Sc1B C43 -156.2(7) . .
C7B C6B Sc1B C43 76.7(8) . .
C13B C6B Sc1B C43 -36.4(8) . .
C4B C6B Sc1B C3B 30.3(6) . .
C7B C6B Sc1B C3B -96.8(7) . .
C13B C6B Sc1B C3B 150.1(7) . .
C4B C6B Sc1B C7B 127.0(10) . .
C13B C6B Sc1B C7B -113.2(10) . .
C4B C6B Sc1B C8B 98.1(7) . .
C7B C6B Sc1B C8B -28.9(5) . .
C13B C6B Sc1B C8B -142.1(7) . .
C4B C6B Sc1B C9B 65.5(7) . .
C7B C6B Sc1B C9B -61.5(7) . .
C13B C6B Sc1B C9B -174.7(7) . .
C4B C6B Sc1B C5B -33.4(5) . .
C7B C6B Sc1B C5B -160.4(8) . .
C13B C6B Sc1B C5B 86.4(7) . .
C4B C6B Sc1B C13B -119.8(10) . .
C7B C6B Sc1B C13B 113.2(10) . .
C4B C6B Sc1B C2B 9.7(7) . .
C7B C6B Sc1B C2B -117.4(7) . .
C13B C6B Sc1B C2B 129.5(7) . .
C4B C6B Sc1B C1B -19.5(7) . .
C7B C6B Sc1B C1B -146.5(7) . .
C13B C6B Sc1B C1B 100.3(7) . .
Sc3B C43 Sc1B N0 7.5(8) . .
N0 C43 Sc1B C4B 117.8(10) . .
Sc3B C43 Sc1B C4B 125.3(13) . .
N0 C43 Sc1B C6B 151.2(6) . .
Sc3B C43 Sc1B C6B 158.8(11) . .
N0 C43 Sc1B C3B -61(3) . .
Sc3B C43 Sc1B C3B -53(3) . .
N0 C43 Sc1B C7B -170.4(6) . .
Sc3B C43 Sc1B C7B -162.9(12) . .
N0 C43 Sc1B C8B -131.7(7) . .
Sc3B C43 Sc1B C8B -124.2(12) . .
N0 C43 Sc1B C9B -94.6(9) . .
Sc3B C43 Sc1B C9B -87.1(14) . .
N0 C43 Sc1B C5B 73.7(9) . .
Sc3B C43 Sc1B C5B 81.2(14) . .
N0 C43 Sc1B C13B 132.5(7) . .
Sc3B C43 Sc1B C13B 140.0(13) . .
N0 C43 Sc1B C2B -5.2(11) . .
Sc3B C43 Sc1B C2B 2.3(17) . .
N0 C43 Sc1B C1B 33.9(9) . .
Sc3B C43 Sc1B C1B 41.4(15) . .
C2B C3B Sc1B N0 22.6(7) . .
C4B C3B Sc1B N0 131.5(6) . .
C9B C3B Sc1B N0 -89.1(7) . .
C2B C3B Sc1B C4B -108.9(4) . .
C9B C3B Sc1B C4B 139.5(9) . .
C2B C3B Sc1B C6B -138.9(5) . .
C4B C3B Sc1B C6B -30.1(5) . .
C9B C3B Sc1B C6B 109.4(7) . .
C2B C3B Sc1B C43 70(2) . .
C4B C3B Sc1B C43 179(2) . .
C9B C3B Sc1B C43 -42(3) . .
C2B C3B Sc1B C7B -177.3(5) . .
C4B C3B Sc1B C7B -68.4(5) . .
C9B C3B Sc1B C7B 71.1(6) . .
C2B C3B Sc1B C8B 146.4(6) . .
C4B C3B Sc1B C8B -104.7(6) . .
C9B C3B Sc1B C8B 34.8(6) . .
C2B C3B Sc1B C9B 111.7(9) . .
C4B C3B Sc1B C9B -139.5(9) . .
C2B C3B Sc1B C5B -70.3(3) . .
C4B C3B Sc1B C5B 38.6(3) . .
C9B C3B Sc1B C5B 178.1(8) . .
C2B C3B Sc1B C13B -123.2(5) . .
C4B C3B Sc1B C13B -14.3(5) . .
C9B C3B Sc1B C13B 125.1(7) . .
C4B C3B Sc1B C2B 108.9(4) . .
C9B C3B Sc1B C2B -111.7(9) . .
C2B C3B Sc1B C1B -33.6(2) . .
C4B C3B Sc1B C1B 75.3(3) . .
C9B C3B Sc1B C1B -145.3(8) . .
C6B C7B Sc1B N0 -127.8(7) . .
C8B C7B Sc1B N0 100.3(7) . .
C10B C7B Sc1B N0 -5.3(8) . .
C6B C7B Sc1B C4B 32.2(7) . .
C8B C7B Sc1B C4B -99.7(6) . .
C10B C7B Sc1B C4B 154.6(6) . .
C8B C7B Sc1B C6B -131.9(9) . .
C10B C7B Sc1B C6B 122.5(9) . .
C6B C7B Sc1B C43 -120.2(7) . .
C8B C7B Sc1B C43 107.9(6) . .
C10B C7B Sc1B C43 2.2(6) . .
C6B C7B Sc1B C3B 70.8(7) . .
C8B C7B Sc1B C3B -61.2(5) . .
C10B C7B Sc1B C3B -166.8(5) . .
C6B C7B Sc1B C8B 131.9(9) . .
C10B C7B Sc1B C8B -105.6(4) . .
C6B C7B Sc1B C9B 109.2(8) . .
C8B C7B Sc1B C9B -22.7(5) . .
C10B C7B Sc1B C9B -128.3(6) . .
C6B C7B Sc1B C5B 17.1(7) . .
C8B C7B Sc1B C5B -114.9(5) . .
C10B C7B Sc1B C5B 139.5(5) . .
C6B C7B Sc1B C13B -36.2(6) . .
C8B C7B Sc1B C13B -168.1(6) . .
C10B C7B Sc1B C13B 86.3(6) . .
C6B C7B Sc1B C2B 69.2(7) . .
C8B C7B Sc1B C2B -62.7(5) . .
C10B C7B Sc1B C2B -168.3(5) . .
C6B C7B Sc1B C1B 38.7(8) . .
C8B C7B Sc1B C1B -93.2(5) . .
C10B C7B Sc1B C1B 161.1(5) . .
C9B C8B Sc1B N0 99.4(8) . .
C12B C8B Sc1B N0 -13.4(8) . .
C7B C8B Sc1B N0 -118.6(7) . .
C9B C8B Sc1B C4B -74.2(7) . .
C12B C8B Sc1B C4B 173.0(5) . .
C7B C8B Sc1B C4B 67.8(5) . .
C9B C8B Sc1B C6B -112.6(7) . .
C12B C8B Sc1B C6B 134.6(6) . .
C7B C8B Sc1B C6B 29.4(5) . .
C9B C8B Sc1B C43 131.2(7) . .
C12B C8B Sc1B C43 18.4(7) . .
C7B C8B Sc1B C43 -86.8(6) . .
C9B C8B Sc1B C3B -36.7(6) . .
C12B C8B Sc1B C3B -149.5(6) . .
C7B C8B Sc1B C3B 105.3(6) . .
C9B C8B Sc1B C7B -142.0(8) . .
C12B C8B Sc1B C7B 105.2(4) . .
C12B C8B Sc1B C9B -112.8(9) . .
C7B C8B Sc1B C9B 142.0(8) . .
C9B C8B Sc1B C5B -68.8(7) . .
C12B C8B Sc1B C5B 178.4(5) . .
C7B C8B Sc1B C5B 73.2(5) . .
C9B C8B Sc1B C13B -132.0(7) . .
C12B C8B Sc1B C13B 115.2(5) . .
C7B C8B Sc1B C13B 10.0(5) . .
C9B C8B Sc1B C2B -19.5(6) . .
C12B C8B Sc1B C2B -132.3(5) . .
C7B C8B Sc1B C2B 122.5(4) . .
C9B C8B Sc1B C1B -36.7(7) . .
C12B C8B Sc1B C1B -149.5(5) . .
C7B C8B Sc1B C1B 105.3(5) . .
C32B C9B Sc1B N0 6.7(11) . .
C8B C9B Sc1B N0 -111.9(7) . .
C3B C9B Sc1B N0 128.2(7) . .
C32B C9B Sc1B C4B -146.6(9) . .
C8B C9B Sc1B C4B 94.8(7) . .
C3B C9B Sc1B C4B -25.1(5) . .
C32B C9B Sc1B C6B 177.2(9) . .
C8B C9B Sc1B C6B 58.6(6) . .
C3B C9B Sc1B C6B -61.3(6) . .
C32B C9B Sc1B C43 48.1(12) . .
C8B C9B Sc1B C43 -70.5(9) . .
C3B C9B Sc1B C43 169.6(7) . .
C32B C9B Sc1B C3B -121.5(12) . .
C8B C9B Sc1B C3B 119.9(9) . .
C32B C9B Sc1B C7B 142.0(9) . .
C8B C9B Sc1B C7B 23.4(5) . .
C3B C9B Sc1B C7B -96.5(7) . .
C32B C9B Sc1B C8B 118.6(11) . .
C3B C9B Sc1B C8B -119.9(9) . .
C32B C9B Sc1B C5B -123.1(8) . .
C8B C9B Sc1B C5B 118.3(6) . .
C3B C9B Sc1B C5B -1.6(7) . .
C32B C9B Sc1B C13B 174.1(8) . .
C8B C9B Sc1B C13B 55.4(7) . .
C3B C9B Sc1B C13B -64.5(7) . .
C32B C9B Sc1B C2B -84.9(9) . .
C8B C9B Sc1B C2B 156.4(7) . .
C3B C9B Sc1B C2B 36.5(5) . .
C32B C9B Sc1B C1B -94.6(8) . .
C8B C9B Sc1B C1B 146.8(6) . .
C3B C9B Sc1B C1B 26.9(6) . .
C15B C5B Sc1B N0 52.4(9) . .
C4B C5B Sc1B N0 -179.8(6) . .
C1B C5B Sc1B N0 -65.7(5) . .
C15B C5B Sc1B C4B -127.8(10) . .
C1B C5B Sc1B C4B 114.1(5) . .
C15B C5B Sc1B C6B -90.5(8) . .
C4B C5B Sc1B C6B 37.2(6) . .
C1B C5B Sc1B C6B 151.3(6) . .
C15B C5B Sc1B C43 18.2(10) . .
C4B C5B Sc1B C43 146.0(7) . .
C1B C5B Sc1B C43 -99.9(6) . .
C15B C5B Sc1B C3B -171.4(9) . .
C4B C5B Sc1B C3B -43.6(3) . .
C1B C5B Sc1B C3B 70.5(4) . .
C15B C5B Sc1B C7B -102.3(8) . .
C4B C5B Sc1B C7B 25.4(6) . .
C1B C5B Sc1B C7B 139.6(5) . .
C15B C5B Sc1B C8B -137.4(8) . .
C4B C5B Sc1B C8B -9.6(6) . .
C1B C5B Sc1B C8B 104.5(6) . .
C15B C5B Sc1B C9B -170.2(8) . .
C4B C5B Sc1B C9B -42.4(6) . .
C1B C5B Sc1B C9B 71.7(6) . .
C15B C5B Sc1B C13B -53.6(8) . .
C4B C5B Sc1B C13B 74.2(6) . .
C1B C5B Sc1B C13B -171.7(5) . .
C15B C5B Sc1B C2B 149.1(9) . .
C4B C5B Sc1B C2B -83.1(4) . .
C1B C5B Sc1B C2B 31.0(3) . .
C15B C5B Sc1B C1B 118.1(10) . .
C4B C5B Sc1B C1B -114.1(5) . .
C6B C13B Sc1B N0 174.9(7) . .
C14B C13B Sc1B N0 -58.1(6) . .
C16B C13B Sc1B N0 50.6(6) . .
C6B C13B Sc1B C4B -37.7(6) . .
C14B C13B Sc1B C4B 89.3(6) . .
C16B C13B Sc1B C4B -162.0(7) . .
C14B C13B Sc1B C6B 127.0(10) . .
C16B C13B Sc1B C6B -124.3(10) . .
C6B C13B Sc1B C43 149.8(7) . .
C14B C13B Sc1B C43 -83.2(6) . .
C16B C13B Sc1B C43 25.5(6) . .
C6B C13B Sc1B C3B -27.6(7) . .
C14B C13B Sc1B C3B 99.4(5) . .
C16B C13B Sc1B C3B -151.9(5) . .
C6B C13B Sc1B C7B 41.5(6) . .
C14B C13B Sc1B C7B 168.6(7) . .
C16B C13B Sc1B C7B -82.8(7) . .
C6B C13B Sc1B C8B 34.4(7) . .
C14B C13B Sc1B C8B 161.5(5) . .
C16B C13B Sc1B C8B -89.9(6) . .
C6B C13B Sc1B C9B 5.8(8) . .
C14B C13B Sc1B C9B 132.9(6) . .
C16B C13B Sc1B C9B -118.5(6) . .
C6B C13B Sc1B C5B -75.8(7) . .
C14B C13B Sc1B C5B 51.2(6) . .
C16B C13B Sc1B C5B 159.8(6) . .
C6B C13B Sc1B C2B -56.6(7) . .
C14B C13B Sc1B C2B 70.5(5) . .
C16B C13B Sc1B C2B 179.1(5) . .
C6B C13B Sc1B C1B -80.0(7) . .
C14B C13B Sc1B C1B 47.1(5) . .
C16B C13B Sc1B C1B 155.7(5) . .
C34B C2B Sc1B N0 -40.7(9) . .
C1B C2B Sc1B N0 77.1(4) . .
C3B C2B Sc1B N0 -165.3(5) . .
C34B C2B Sc1B C4B 169.1(10) . .
C1B C2B Sc1B C4B -73.2(4) . .
C3B C2B Sc1B C4B 44.5(3) . .
C34B C2B Sc1B C6B 162.0(9) . .
C1B C2B Sc1B C6B -80.3(5) . .
C3B C2B Sc1B C6B 37.4(5) . .
C34B C2B Sc1B C43 -37.8(12) . .
C1B C2B Sc1B C43 80.0(7) . .
C3B C2B Sc1B C43 -162.4(7) . .
C34B C2B Sc1B C3B 124.6(10) . .
C1B C2B Sc1B C3B -117.7(4) . .
C34B C2B Sc1B C7B 127.4(8) . .
C1B C2B Sc1B C7B -114.9(5) . .
C3B C2B Sc1B C7B 2.8(5) . .
C34B C2B Sc1B C8B 95.4(9) . .
C1B C2B Sc1B C8B -146.8(5) . .
C3B C2B Sc1B C8B -29.2(5) . .
C34B C2B Sc1B C9B 82.0(9) . .
C1B C2B Sc1B C9B -160.2(6) . .
C3B C2B Sc1B C9B -42.6(6) . .
C34B C2B Sc1B C5B -149.3(10) . .
C1B C2B Sc1B C5B -31.5(3) . .
C3B C2B Sc1B C5B 86.2(4) . .
C34B C2B Sc1B C13B -171.2(8) . .
C1B C2B Sc1B C13B -53.5(5) . .
C3B C2B Sc1B C13B 64.2(5) . .
C34B C2B Sc1B C1B -117.8(10) . .
C3B C2B Sc1B C1B 117.7(4) . .
C2B C1B Sc1B N0 -111.6(5) . .
C5B C1B Sc1B N0 123.9(5) . .
C65D C1B Sc1B N0 8.2(8) . .
C2B C1B Sc1B C4B 85.0(4) . .
C5B C1B Sc1B C4B -39.5(3) . .
C65D C1B Sc1B C4B -155.2(9) . .
C2B C1B Sc1B C6B 99.8(5) . .
C5B C1B Sc1B C6B -24.7(5) . .
C65D C1B Sc1B C6B -140.4(8) . .
C2B C1B Sc1B C43 -128.9(6) . .
C5B C1B Sc1B C43 106.6(6) . .
C65D C1B Sc1B C43 -9.1(10) . .
C2B C1B Sc1B C3B 36.8(3) . .
C5B C1B Sc1B C3B -87.7(4) . .
C65D C1B Sc1B C3B 156.6(9) . .
C2B C1B Sc1B C7B 77.5(6) . .
C5B C1B Sc1B C7B -47.0(6) . .
C65D C1B Sc1B C7B -162.7(7) . .
C2B C1B Sc1B C8B 36.8(5) . .
C5B C1B Sc1B C8B -87.7(6) . .
C65D C1B Sc1B C8B 156.6(7) . .
C2B C1B Sc1B C9B 16.4(5) . .
C5B C1B Sc1B C9B -108.1(5) . .
C65D C1B Sc1B C9B 136.2(8) . .
C2B C1B Sc1B C5B 124.5(4) . .
C65D C1B Sc1B C5B -115.7(9) . .
C2B C1B Sc1B C13B 131.9(4) . .
C5B C1B Sc1B C13B 7.4(5) . .
C65D C1B Sc1B C13B -108.3(7) . .
C5B C1B Sc1B C2B -124.5(4) . .
C65D C1B Sc1B C2B 119.8(9) . .
C2B C1B C65D C70D 150.5(10) . .
C5B C1B C65D C70D 0.4(17) . .
Sc1B C1B C65D C70D 72.7(12) . .
C2B C1B C65D C66D -4.5(19) . .
C5B C1B C65D C66D -154.6(9) . .
Sc1B C1B C65D C66D -82.2(12) . .
C2B C1B C65D Sc1D 54.9(12) . .
C5B C1B C65D Sc1D -95.2(8) . .
Sc1B C1B C65D Sc1D -22.9(8) . .
C70D C65D C66D C68D -143.3(13) . .
C1B C65D C66D C68D 8.4(16) . .
Sc1D C65D C66D C68D -78.4(8) . .
C70D C65D C66D C85D -2.4(19) . .
C1B C65D C66D C85D 149.3(10) . .
Sc1D C65D C66D C85D 62.5(7) . .
C70D C65D C66D Sc1D -64.9(15) . .
C1B C65D C66D Sc1D 86.8(12) . .
C35B C45B C67D C71D 148.0(11) . .
C69D C45B C67D C71D 4.8(18) . .
C35B C45B C67D C40B -3.0(17) . .
C69D C45B C67D C40B -146.2(12) . .
C43B C40B C67D C45B 145.7(11) . .
C24B C40B C67D C45B 3.6(16) . .
C43B C40B C67D C71D -6.2(14) . .
C24B C40B C67D C71D -148.4(9) . .
C65D C66D C68D C74D 145.1(11) . .
C85D C66D C68D C74D 0.0(5) . .
Sc1D C66D C68D C74D 59.9(5) . .
C65D C66D C68D C34B -6.8(14) . .
C85D C66D C68D C34B -151.9(10) . .
Sc1D C66D C68D C34B -92.0(10) . .
C65D C66D C68D Sc1D 85.2(9) . .
C85D C66D C68D Sc1D -59.9(5) . .
C2B C34B C68D C66D 0.4(14) . .
C33B C34B C68D C66D 149.7(9) . .
C2B C34B C68D C74D -147.5(10) . .
C33B C34B C68D C74D 1.8(14) . .
C2B C34B C68D Sc1D -70.3(11) . .
C33B C34B C68D Sc1D 79.1(10) . .
C34B C33B C69D C73D 2.1(19) . .
C32B C33B C69D C73D 145.5(12) . .
C34B C33B C69D C45B -143.7(10) . .
C32B C33B C69D C45B -0.3(12) . .
C67D C45B C69D C73D 2.5(19) . .
C35B C45B C69D C73D -144.2(12) . .
C67D C45B C69D C33B 147.0(12) . .
C35B C45B C69D C33B 0.3(12) . .
C15B C44B C70D C65D 2(2) . .
C39B C44B C70D C65D -141.9(14) . .
C15B C44B C70D C79D 147.8(14) . .
C39B C44B C70D C79D 4.1(15) . .
C66D C65D C70D C44B 148.2(14) . .
C1B C65D C70D C44B -4(2) . .
Sc1D C65D C70D C44B 98.1(14) . .
C66D C65D C70D C79D 3(2) . .
C1B C65D C70D C79D -149.1(12) . .
Sc1D C65D C70D C79D -47.0(12) . .
C45B C67D C71D C81D -147.2(10) . .
C40B C67D C71D C81D 5.7(14) . .
C45B C67D C71D C72D -6.8(17) . .
C40B C67D C71D C72D 146.1(9) . .
C67D C71D C72D C73D 1.5(14) . .
C81D C71D C72D C73D 146.1(11) . .
C67D C71D C72D C83D -144.7(11) . .
C81D C71D C72D C83D -0.1(5) . .
C33B C69D C73D C72D -147.0(12) . .
C45B C69D C73D C72D -7.5(18) . .
C33B C69D C73D C74D 3(2) . .
C45B C69D C73D C74D 142.9(13) . .
C71D C72D C73D C69D 5.3(15) . .
C83D C72D C73D C69D 146.9(10) . .
C71D C72D C73D C74D -147.3(10) . .
C83D C72D C73D C74D -5.6(15) . .
C69D C73D C74D C86D -148.5(12) . .
C72D C73D C74D C86D 1.3(16) . .
C69D C73D C74D C68D -5.9(17) . .
C72D C73D C74D C68D 143.8(10) . .
C69D C73D C74D Sc1D -82.9(14) . .
C72D C73D C74D Sc1D 66.9(11) . .
C66D C68D C74D C73D -149.0(12) . .
C34B C68D C74D C73D 3.2(13) . .
Sc1D C68D C74D C73D -92.6(10) . .
C66D C68D C74D C86D 0.0(4) . .
C34B C68D C74D C86D 152.1(11) . .
Sc1D C68D C74D C86D 56.4(5) . .
C66D C68D C74D Sc1D -56.4(5) . .
C34B C68D C74D Sc1D 95.8(9) . .
C36B C37B C75D C91D 149.1(15) . .
C38B C37B C75D C91D 6(2) . .
C36B C37B C75D C76D -1.8(16) . .
C38B C37B C75D C76D -145.0(13) . .
C37B C75D C76D C77D 148.1(13) . .
C91D C75D C76D C77D -3(2) . .
C37B C75D C76D C41B 1.5(16) . .
C91D C75D C76D C41B -150.0(13) . .
C42B C41B C76D C77D 4.6(19) . .
C36B C41B C76D C77D -143.4(14) . .
C42B C41B C76D C75D 147.4(11) . .
C36B C41B C76D C75D -0.6(14) . .
C75D C76D C77D C78D -145.2(13) . .
C41B C76D C77D C78D -7.4(19) . .
C75D C76D C77D C98D 2(2) . .
C41B C76D C77D C98D 139.5(14) . .
C76D C77D C78D C79D 148.0(14) . .
C98D C77D C78D C79D -1(2) . .
C76D C77D C78D C39B 6.4(18) . .
C98D C77D C78D C39B -142.7(12) . .
C42B C39B C78D C77D -3.1(19) . .
C44B C39B C78D C77D 147.5(12) . .
C42B C39B C78D C79D -152.3(12) . .
C44B C39B C78D C79D -1.6(14) . .
C77D C78D C79D C84D 0(2) . .
C39B C78D C79D C84D 147.1(12) . .
C77D C78D C79D C70D -143.5(14) . .
C39B C78D C79D C70D 3.9(14) . .
C77D C78D C79D Sc1D -57.2(15) . .
C39B C78D C79D Sc1D 90.2(9) . .
C44B C70D C79D C84D -144.9(13) . .
C65D C70D C79D C84D 5(2) . .
C44B C70D C79D C78D -5.3(16) . .
C65D C70D C79D C78D 144.2(13) . .
C44B C70D C79D Sc1D -105.7(11) . .
C65D C70D C79D Sc1D 43.8(12) . .
C31B C43B C80D C90D -4.5(14) . .
C40B C43B C80D C90D -147.4(9) . .
C31B C43B C80D C81D 145.6(9) . .
C40B C43B C80D C81D 2.6(15) . .
C90D C80D C81D C71D 143.3(11) . .
C43B C80D C81D C71D -3.1(15) . .
C90D C80D C81D C82D -0.5(16) . .
C43B C80D C81D C82D -146.9(9) . .
C67D C71D C81D C80D -1.3(14) . .
C72D C71D C81D C80D -146.4(11) . .
C67D C71D C81D C82D 145.1(10) . .
C72D C71D C81D C82D 0.0(4) . .
C80D C81D C82D C94D 1.5(13) . .
C71D C81D C82D C94D -148.1(11) . .
C80D C81D C82D C83D 149.6(11) . .
C71D C81D C82D C83D 0.0(2) . .
C94D C82D C83D C87D 0.6(13) . .
C81D C82D C83D C87D -148.5(12) . .
C94D C82D C83D C72D 149.0(11) . .
C81D C82D C83D C72D 0.0(2) . .
C73D C72D C83D C87D 3.7(14) . .
C71D C72D C83D C87D 149.7(11) . .
C73D C72D C83D C82D -145.9(11) . .
C71D C72D C83D C82D 0.1(4) . .
C78D C79D C84D C99D 2.2(17) . .
C70D C79D C84D C99D 139.2(13) . .
Sc1D C79D C84D C99D 89.4(11) . .
C78D C79D C84D C85D -149.4(12) . .
C70D C79D C84D C85D -12(2) . .
Sc1D C79D C84D C85D -62.3(10) . .
C78D C79D C84D Sc1D -87.1(11) . .
C70D C79D C84D Sc1D 49.8(14) . .
C65D C66D C85D C86D -145.1(12) . .
C68D C66D C85D C86D 0.0(4) . .
Sc1D C66D C85D C86D -68.7(6) . .
C65D C66D C85D C84D -5.7(13) . .
C68D C66D C85D C84D 139.4(11) . .
Sc1D C66D C85D C84D 70.7(9) . .
C65D C66D C85D Sc1D -76.4(10) . .
C68D C66D C85D Sc1D 68.7(6) . .
C79D C84D C85D C86D 146.6(11) . .
C99D C84D C85D C86D -6.3(15) . .
Sc1D C84D C85D C86D 64.9(7) . .
C79D C84D C85D C66D 12.5(15) . .
C99D C84D C85D C66D -140.4(9) . .
Sc1D C84D C85D C66D -69.2(7) . .
C79D C84D C85D Sc1D 81.7(12) . .
C99D C84D C85D Sc1D -71.2(10) . .
C73D C74D C86D C85D 145.2(13) . .
C68D C74D C86D C85D 0.0(2) . .
Sc1D C74D C86D C85D 62.3(5) . .
C73D C74D C86D C87D 4.7(13) . .
C68D C74D C86D C87D -140.4(10) . .
Sc1D C74D C86D C87D -78.2(8) . .
C73D C74D C86D Sc1D 82.9(11) . .
C68D C74D C86D Sc1D -62.2(5) . .
C66D C85D C86D C74D 0.0(2) . .
C84D C85D C86D C74D -137.9(11) . .
Sc1D C85D C86D C74D -70.3(5) . .
C66D C85D C86D C87D 136.3(10) . .
C84D C85D C86D C87D -1.6(13) . .
Sc1D C85D C86D C87D 66.0(9) . .
C66D C85D C86D Sc1D 70.3(5) . .
C84D C85D C86D Sc1D -67.5(9) . .
C82D C83D C87D C95D -1.1(15) . .
C72D C83D C87D C95D -145.9(9) . .
C82D C83D C87D C86D 147.6(9) . .
C72D C83D C87D C86D 2.9(16) . .
C82D C83D C87D Sc1D 85.8(9) . .
C72D C83D C87D Sc1D -58.9(10) . .
C74D C86D C87D C83D -6.7(15) . .
C85D C86D C87D C83D -140.7(11) . .
Sc1D C86D C87D C83D -82.5(12) . .
C74D C86D C87D C95D 142.2(9) . .
C85D C86D C87D C95D 8.2(15) . .
Sc1D C86D C87D C95D 66.4(10) . .
C74D C86D C87D Sc1D 75.8(6) . .
C85D C86D C87D Sc1D -58.2(8) . .
C28B C38B C88D C89D -3.7(14) . .
C37B C38B C88D C89D 148.6(10) . .
Sc3B C38B C88D C89D 72.7(6) . .
C28B C38B C88D C92D -142.5(10) . .
C37B C38B C88D C92D 9.7(15) . .
Sc3B C38B C88D C92D -66.1(7) . .
C28B C38B C88D Sc3B -76.4(10) . .
C37B C38B C88D Sc3B 75.9(10) . .
C38B C88D C89D C90D -145.2(10) . .
C92D C88D C89D C90D 0.1(4) . .
Sc3B C88D C89D C90D -64.9(5) . .
C38B C88D C89D C30B -3.7(14) . .
C92D C88D C89D C30B 141.6(12) . .
Sc3B C88D C89D C30B 76.6(11) . .
C38B C88D C89D Sc3B -80.3(9) . .
C92D C88D C89D Sc3B 65.0(5) . .
C31B C30B C89D C88D -139.0(9) . .
C29B C30B C89D C88D 9.2(16) . .
Sc3B C30B C89D C88D -61.4(8) . .
C31B C30B C89D C90D 0.1(15) . .
C29B C30B C89D C90D 148.3(9) . .
Sc3B C30B C89D C90D 77.7(6) . .
C31B C30B C89D Sc3B -77.7(11) . .
C29B C30B C89D Sc3B 70.6(10) . .
C81D C80D C90D C93D -0.7(16) . .
C43B C80D C90D C93D 146.2(9) . .
C81D C80D C90D C89D -141.2(11) . .
C43B C80D C90D C89D 5.7(17) . .
C81D C80D C90D Sc3B -73.4(13) . .
C43B C80D C90D Sc3B 73.5(11) . .
C88D C89D C90D C80D 142.4(13) . .
C30B C89D C90D C80D -3.6(14) . .
Sc3B C89D C90D C80D 85.7(11) . .
C88D C89D C90D C93D -0.1(4) . .
C30B C89D C90D C93D -146.1(11) . .
Sc3B C89D C90D C93D -56.8(4) . .
C88D C89D C90D Sc3B 56.7(4) . .
C30B C89D C90D Sc3B -89.4(9) . .
C37B C75D C91D C97D -144.5(15) . .
C76D C75D C91D C97D 5(2) . .
C37B C75D C91D C92D -4(2) . .
C76D C75D C91D C92D 146.2(14) . .
C37B C75D C91D Sc3B -48.4(14) . .
C76D C75D C91D Sc3B 101.5(12) . .
C75D C91D C92D C93D -137.5(13) . .
C97D C91D C92D C93D 9.9(16) . .
Sc3B C91D C92D C93D -76.5(8) . .
C75D C91D C92D C88D 4.6(19) . .
C97D C91D C92D C88D 152.0(9) . .
Sc3B C91D C92D C88D 65.6(6) . .
C75D C91D C92D Sc3B -61.0(15) . .
C97D C91D C92D Sc3B 86.4(10) . .
C38B C88D C92D C91D -8.2(14) . .
C89D C88D C92D C91D -149.8(11) . .
Sc3B C88D C92D C91D -82.3(10) . .
C38B C88D C92D C93D 141.5(11) . .
C89D C88D C92D C93D -0.1(4) . .
Sc3B C88D C92D C93D 67.4(4) . .
C38B C88D C92D Sc3B 74.2(9) . .
C89D C88D C92D Sc3B -67.4(5) . .
C91D C92D C93D C94D -7.0(14) . .
C88D C92D C93D C94D -150.9(11) . .
Sc3B C92D C93D C94D -90.8(9) . .
C91D C92D C93D C90D 144.0(12) . .
C88D C92D C93D C90D 0.04(19) . .
Sc3B C92D C93D C90D 60.2(4) . .
C91D C92D C93D Sc3B 83.8(11) . .
C88D C92D C93D Sc3B -60.1(4) . .
C80D C90D C93D C94D 1.2(13) . .
C89D C90D C93D C94D 149.4(12) . .
Sc3B C90D C93D C94D 95.1(10) . .
C80D C90D C93D C92D -148.1(10) . .
C89D C90D C93D C92D 0.02(19) . .
Sc3B C90D C93D C92D -54.3(4) . .
C80D C90D C93D Sc3B -93.9(9) . .
C89D C90D C93D Sc3B 54.3(4) . .
C92D C93D C94D C82D 145.9(10) . .
C90D C93D C94D C82D -0.3(16) . .
Sc3B C93D C94D C82D 78.7(12) . .
C92D C93D C94D C96D -0.5(14) . .
C90D C93D C94D C96D -146.7(9) . .
Sc3B C93D C94D C96D -67.7(11) . .
C81D C82D C94D C93D -1.1(16) . .
C83D C82D C94D C93D -145.4(10) . .
C81D C82D C94D C96D 144.6(9) . .
C83D C82D C94D C96D 0.3(14) . .
C83D C87D C95D C99D 143.5(10) . .
C86D C87D C95D C99D -7.0(15) . .
Sc1D C87D C95D C99D 47.2(8) . .
C83D C87D C95D C96D 0.9(14) . .
C86D C87D C95D C96D -149.6(9) . .
Sc1D C87D C95D C96D -95.4(7) . .
C83D C87D C95D Sc1D 96.3(11) . .
C86D C87D C95D Sc1D -54.2(9) . .
C93D C94D C96D C97D 2.9(14) . .
C82D C94D C96D C97D -143.3(9) . .
C93D C94D C96D C95D 145.7(9) . .
C82D C94D C96D C95D -0.5(15) . .
C87D C95D C96D C94D -0.1(12) . .
C99D C95D C96D C94D -147.3(10) . .
Sc1D C95D C96D C94D -71.0(10) . .
C87D C95D C96D C97D 147.2(9) . .
C99D C95D C96D C97D 0.0(5) . .
Sc1D C95D C96D C97D 76.4(5) . .
C75D C91D C97D C98D -4.9(19) . .
C92D C91D C97D C98D -150.9(9) . .
Sc3B C91D C97D C98D -97.1(7) . .
C75D C91D C97D C96D 138.8(13) . .
C92D C91D C97D C96D -7.2(16) . .
Sc3B C91D C97D C96D 46.6(11) . .
C94D C96D C97D C91D 1.6(14) . .
C95D C96D C97D C91D -145.6(12) . .
C94D C96D C97D C98D 147.1(10) . .
C95D C96D C97D C98D 0.0(4) . .
C76D C77D C98D C97D -1.4(17) . .
C78D C77D C98D C97D 144.5(10) . .
C76D C77D C98D C99D -145.2(12) . .
C78D C77D C98D C99D 0.7(16) . .
C91D C97D C98D C77D 2.9(13) . .
C96D C97D C98D C77D -148.0(11) . .
C91D C97D C98D C99D 150.9(11) . .
C96D C97D C98D C99D 0.0(2) . .
C79D C84D C99D C95D -144.5(11) . .
C85D C84D C99D C95D 7.6(15) . .
Sc1D C84D C99D C95D -50.0(9) . .
C79D C84D C99D C98D -2.6(15) . .
C85D C84D C99D C98D 149.5(9) . .
Sc1D C84D C99D C98D 91.9(7) . .
C79D C84D C99D Sc1D -94.5(12) . .
C85D C84D C99D Sc1D 57.6(9) . .
C87D C95D C99D C84D -0.9(14) . .
C96D C95D C99D C84D 145.8(10) . .
Sc1D C95D C99D C84D 43.5(9) . .
C87D C95D C99D C98D -146.7(11) . .
C96D C95D C99D C98D 0.0(4) . .
Sc1D C95D C99D C98D -102.3(5) . .
C87D C95D C99D Sc1D -44.4(9) . .
C96D C95D C99D Sc1D 102.2(6) . .
C77D C98D C99D C84D 1.1(13) . .
C97D C98D C99D C84D -146.9(10) . .
C77D C98D C99D C95D 148.0(11) . .
C97D C98D C99D C95D 0.0(2) . .
C77D C98D C99D Sc1D 66.5(10) . .
C97D C98D C99D Sc1D -81.4(5) . .
C43 N0 Sc1D C85D 109(3) 6 .
C43 N0 Sc1D C85D 36(7) . .
Sc1D N0 Sc1D C85D -63(3) 6 .
Sc1B N0 Sc1D C85D -67(3) . .
Sc1B N0 Sc1D C85D -159(11) 6 .
Sc3B N0 Sc1D C85D 113(3) . .
Sc3B N0 Sc1D C85D 110(3) 6 .
C43 N0 Sc1D C86D -68.4(17) 6 .
C43 N0 Sc1D C86D -141(5) . .
Sc1D N0 Sc1D C86D 119.7(14) 6 .
Sc1B N0 Sc1D C86D 116.2(16) . .
Sc1B N0 Sc1D C86D 24(7) 6 .
Sc3B N0 Sc1D C86D -64.5(17) . .
Sc3B N0 Sc1D C86D -68(2) 6 .
C43 N0 Sc1D C66D 164.1(11) 6 .
C43 N0 Sc1D C66D 91(5) . .
Sc1D N0 Sc1D C66D -7.9(12) 6 .
Sc1B N0 Sc1D C66D -11.4(9) . .
Sc1B N0 Sc1D C66D -104(8) 6 .
Sc3B N0 Sc1D C66D 167.9(7) . .
Sc3B N0 Sc1D C66D 164.9(6) 6 .
C43 N0 Sc1D C84D 67.4(10) 6 .
C43 N0 Sc1D C84D -5(5) . .
Sc1D N0 Sc1D C84D -104.6(8) 6 .
Sc1B N0 Sc1D C84D -108.1(7) . .
Sc1B N0 Sc1D C84D 160(9) 6 .
Sc3B N0 Sc1D C84D 71.2(8) . .
Sc3B N0 Sc1D C84D 68.2(11) 6 .
C43 N0 Sc1D C74D -112.2(10) 6 .
C43 N0 Sc1D C74D 175(5) . .
Sc1D N0 Sc1D C74D 75.9(8) 6 .
Sc1B N0 Sc1D C74D 72.4(7) . .
Sc1B N0 Sc1D C74D -20(8) 6 .
Sc3B N0 Sc1D C74D -108.4(7) . .
Sc3B N0 Sc1D C74D -111.4(9) 6 .
C43 N0 Sc1D C68D -153.9(9) 6 .
C43 N0 Sc1D C68D 133(5) . .
Sc1D N0 Sc1D C68D 34.1(9) 6 .
Sc1B N0 Sc1D C68D 30.6(6) . .
Sc1B N0 Sc1D C68D -62(8) 6 .
Sc3B N0 Sc1D C68D -150.1(5) . .
Sc3B N0 Sc1D C68D -153.1(6) 6 .
C43 N0 Sc1D C87D -35.7(10) 6 .
C43 N0 Sc1D C87D -108(5) . .
Sc1D N0 Sc1D C87D 152.4(5) 6 .
Sc1B N0 Sc1D C87D 148.9(7) . .
Sc1B N0 Sc1D C87D 57(8) 6 .
Sc3B N0 Sc1D C87D -31.9(8) . .
Sc3B N0 Sc1D C87D -34.9(13) 6 .
C43 N0 Sc1D C99D 32.4(8) 6 .
C43 N0 Sc1D C99D -40(5) . .
Sc1D N0 Sc1D C99D -139.6(4) 6 .
Sc1B N0 Sc1D C99D -143.1(4) . .
Sc1B N0 Sc1D C99D 125(8) 6 .
Sc3B N0 Sc1D C99D 36.2(6) . .
Sc3B N0 Sc1D C99D 33.2(11) 6 .
C43 N0 Sc1D C65D 144.1(9) 6 .
C43 N0 Sc1D C65D 71(5) . .
Sc1D N0 Sc1D C65D -27.9(9) 6 .
Sc1B N0 Sc1D C65D -31.4(6) . .
Sc1B N0 Sc1D C65D -124(8) 6 .
Sc3B N0 Sc1D C65D 147.9(5) . .
Sc3B N0 Sc1D C65D 144.9(7) 6 .
C43 N0 Sc1D C95D -1.5(8) 6 .
C43 N0 Sc1D C95D -74(5) . .
Sc1D N0 Sc1D C95D -173.5(3) 6 .
Sc1B N0 Sc1D C95D -177.0(5) . .
Sc1B N0 Sc1D C95D 91(8) 6 .
Sc3B N0 Sc1D C95D 2.3(7) . .
Sc3B N0 Sc1D C95D -0.7(11) 6 .
C43 N0 Sc1D C79D 90.1(8) 6 .
C43 N0 Sc1D C79D 17(5) . .
Sc1D N0 Sc1D C79D -81.9(7) 6 .
Sc1B N0 Sc1D C79D -85.4(5) . .
Sc1B N0 Sc1D C79D -178(9) 6 .
Sc3B N0 Sc1D C79D 93.9(5) . .
Sc3B N0 Sc1D C79D 90.9(8) 6 .
C86D C85D Sc1D N0 -178(3) . .
C66D C85D Sc1D N0 69(3) . .
C84D C85D Sc1D N0 -52(3) . .
C66D C85D Sc1D C86D -112.8(4) . .
C84D C85D Sc1D C86D 125.9(8) . .
C86D C85D Sc1D C66D 112.8(4) . .
C84D C85D Sc1D C66D -121.3(8) . .
C86D C85D Sc1D C84D -125.9(8) . .
C66D C85D Sc1D C84D 121.3(8) . .
C86D C85D Sc1D C74D 37.2(3) . .
C66D C85D Sc1D C74D -75.7(3) . .
C84D C85D Sc1D C74D 163.0(8) . .
C86D C85D Sc1D C68D 76.6(3) . .
C66D C85D Sc1D C68D -36.2(3) . .
C84D C85D Sc1D C68D -157.5(7) . .
C86D C85D Sc1D C87D -29.2(5) . .
C66D C85D Sc1D C87D -142.1(6) . .
C84D C85D Sc1D C87D 96.6(7) . .
C86D C85D Sc1D C99D -94.3(6) . .
C66D C85D Sc1D C99D 152.8(6) . .
C84D C85D Sc1D C99D 31.5(5) . .
C86D C85D Sc1D C65D 142.9(5) . .
C66D C85D Sc1D C65D 30.0(4) . .
C84D C85D Sc1D C65D -91.3(6) . .
C86D C85D Sc1D C95D -62.6(5) . .
C66D C85D Sc1D C95D -175.4(5) . .
C84D C85D Sc1D C95D 63.3(6) . .
C86D C85D Sc1D C79D -156.9(6) . .
C66D C85D Sc1D C79D 90.2(5) . .
C84D C85D Sc1D C79D -31.1(5) . .
C74D C86D Sc1D N0 -66.3(16) . .
C85D C86D Sc1D N0 179.0(17) . .
C87D C86D Sc1D N0 49.6(18) . .
C74D C86D Sc1D C85D 114.7(4) . .
C87D C86D Sc1D C85D -129.4(9) . .
C74D C86D Sc1D C66D 75.0(4) . .
C85D C86D Sc1D C66D -39.7(3) . .
C87D C86D Sc1D C66D -169.0(8) . .
C74D C86D Sc1D C84D 147.4(5) . .
C85D C86D Sc1D C84D 32.8(5) . .
C87D C86D Sc1D C84D -96.6(7) . .
C85D C86D Sc1D C74D -114.7(4) . .
C87D C86D Sc1D C74D 115.9(9) . .
C74D C86D Sc1D C68D 34.9(3) . .
C85D C86D Sc1D C68D -79.7(4) . .
C87D C86D Sc1D C68D 150.9(8) . .
C74D C86D Sc1D C87D -115.9(9) . .
C85D C86D Sc1D C87D 129.4(9) . .
C74D C86D Sc1D C99D -178.0(5) . .
C85D C86D Sc1D C99D 67.3(5) . .
C87D C86D Sc1D C99D -62.1(6) . .
C74D C86D Sc1D C65D 83.4(5) . .
C85D C86D Sc1D C65D -31.2(5) . .
C87D C86D Sc1D C65D -160.6(8) . .
C74D C86D Sc1D C95D -146.6(6) . .
C85D C86D Sc1D C95D 98.7(6) . .
C87D C86D Sc1D C95D -30.6(5) . .
C74D C86D Sc1D C79D 133.8(5) . .
C85D C86D Sc1D C79D 19.1(5) . .
C87D C86D Sc1D C79D -110.3(7) . .
C65D C66D Sc1D N0 -38.8(11) . .
C68D C66D Sc1D N0 82.1(9) . .
C85D C66D Sc1D N0 -161.9(10) . .
C65D C66D Sc1D C85D 123.1(8) . .
C68D C66D Sc1D C85D -116.0(4) . .
C65D C66D Sc1D C86D 163.4(8) . .
C68D C66D Sc1D C86D -75.7(4) . .
C85D C66D Sc1D C86D 40.3(3) . .
C65D C66D Sc1D C84D 87.7(7) . .
C68D C66D Sc1D C84D -151.4(6) . .
C85D C66D Sc1D C84D -35.4(5) . .
C65D C66D Sc1D C74D -155.7(8) . .
C68D C66D Sc1D C74D -34.8(3) . .
C85D C66D Sc1D C74D 81.2(4) . .
C65D C66D Sc1D C68D -120.9(9) . .
C85D C66D Sc1D C68D 116.0(4) . .
C65D C66D Sc1D C87D 157.1(8) . .
C68D C66D Sc1D C87D -82.0(6) . .
C85D C66D Sc1D C87D 34.0(5) . .
C65D C66D Sc1D C99D 99.9(7) . .
C68D C66D Sc1D C99D -139.2(5) . .
C85D C66D Sc1D C99D -23.3(5) . .
C68D C66D Sc1D C65D 120.9(9) . .
C85D C66D Sc1D C65D -123.1(8) . .
C65D C66D Sc1D C95D 127.6(7) . .
C68D C66D Sc1D C95D -111.5(6) . .
C85D C66D Sc1D C95D 4.5(5) . .
C65D C66D Sc1D C79D 55.0(7) . .
C68D C66D Sc1D C79D 175.9(6) . .
C85D C66D Sc1D C79D -68.1(5) . .
C79D C84D Sc1D N0 47.3(10) . .
C99D C84D Sc1D N0 -73.0(9) . .
C85D C84D Sc1D N0 165.6(9) . .
C79D C84D Sc1D C85D -118.3(9) . .
C99D C84D Sc1D C85D 121.5(9) . .
C79D C84D Sc1D C86D -151.3(8) . .
C99D C84D Sc1D C86D 88.5(7) . .
C85D C84D Sc1D C86D -33.0(5) . .
C79D C84D Sc1D C66D -83.1(7) . .
C99D C84D Sc1D C66D 156.6(7) . .
C85D C84D Sc1D C66D 35.2(5) . .
C79D C84D Sc1D C74D -133.1(7) . .
C99D C84D Sc1D C74D 106.7(7) . .
C85D C84D Sc1D C74D -14.8(7) . .
C79D C84D Sc1D C68D -98.9(7) . .
C99D C84D Sc1D C68D 140.8(7) . .
C85D C84D Sc1D C68D 19.4(6) . .
C79D C84D Sc1D C87D 172.5(7) . .
C99D C84D Sc1D C87D 52.3(6) . .
C85D C84D Sc1D C87D -69.2(6) . .
C79D C84D Sc1D C99D 120.2(10) . .
C85D C84D Sc1D C99D -121.5(9) . .
C79D C84D Sc1D C65D -49.2(7) . .
C99D C84D Sc1D C65D -169.5(7) . .
C85D C84D Sc1D C65D 69.1(6) . .
C79D C84D Sc1D C95D 143.4(8) . .
C99D C84D Sc1D C95D 23.2(4) . .
C85D C84D Sc1D C95D -98.3(7) . .
C99D C84D Sc1D C79D -120.2(10) . .
C85D C84D Sc1D C79D 118.3(9) . .
C73D C74D Sc1D N0 24.3(10) . .
C86D C74D Sc1D N0 150.0(8) . .
C68D C74D Sc1D N0 -91.0(7) . .
C73D C74D Sc1D C85D -165.7(8) . .
C86D C74D Sc1D C85D -40.0(3) . .
C68D C74D Sc1D C85D 79.0(4) . .
C73D C74D Sc1D C86D -125.7(8) . .
C68D C74D Sc1D C86D 119.0(4) . .
C73D C74D Sc1D C66D 150.6(8) . .
C86D C74D Sc1D C66D -83.6(4) . .
C68D C74D Sc1D C66D 35.4(3) . .
C73D C74D Sc1D C84D -155.4(6) . .
C86D C74D Sc1D C84D -29.7(5) . .
C68D C74D Sc1D C84D 89.3(5) . .
C73D C74D Sc1D C68D 115.3(8) . .
C86D C74D Sc1D C68D -119.0(4) . .
C73D C74D Sc1D C87D -88.5(7) . .
C86D C74D Sc1D C87D 37.2(5) . .
C68D C74D Sc1D C87D 156.2(6) . .
C73D C74D Sc1D C99D -123.8(6) . .
C86D C74D Sc1D C99D 1.9(5) . .
C68D C74D Sc1D C99D 120.9(5) . .
C73D C74D Sc1D C65D 138.4(7) . .
C86D C74D Sc1D C65D -95.8(5) . .
C68D C74D Sc1D C65D 23.2(5) . .
C73D C74D Sc1D C95D -98.1(6) . .
C86D C74D Sc1D C95D 27.6(5) . .
C68D C74D Sc1D C95D 146.7(5) . .
C73D C74D Sc1D C79D -178.8(7) . .
C86D C74D Sc1D C79D -53.0(6) . .
C68D C74D Sc1D C79D 66.0(6) . .
C66D C68D Sc1D N0 -125.6(7) . .
C74D C68D Sc1D N0 114.7(7) . .
C34B C68D Sc1D N0 -5.3(9) . .
C66D C68D Sc1D C85D 39.1(3) . .
C74D C68D Sc1D C85D -80.6(4) . .
C34B C68D Sc1D C85D 159.4(8) . .
C66D C68D Sc1D C86D 83.5(4) . .
C74D C68D Sc1D C86D -36.2(3) . .
C34B C68D Sc1D C86D -156.2(8) . .
C74D C68D Sc1D C66D -119.8(4) . .
C34B C68D Sc1D C66D 120.3(8) . .
C66D C68D Sc1D C84D 25.6(5) . .
C74D C68D Sc1D C84D -94.2(5) . .
C34B C68D Sc1D C84D 145.9(6) . .
C66D C68D Sc1D C74D 119.8(4) . .
C34B C68D Sc1D C74D -120.0(8) . .
C66D C68D Sc1D C87D 99.7(6) . .
C74D C68D Sc1D C87D -20.1(5) . .
C34B C68D Sc1D C87D -140.0(7) . .
C66D C68D Sc1D C99D 48.1(6) . .
C74D C68D Sc1D C99D -71.7(6) . .
C34B C68D Sc1D C99D 168.4(6) . .
C66D C68D Sc1D C65D -32.0(5) . .
C74D C68D Sc1D C65D -151.8(6) . .
C34B C68D Sc1D C65D 88.3(7) . .
C66D C68D Sc1D C95D 82.1(6) . .
C74D C68D Sc1D C95D -37.7(6) . .
C34B C68D Sc1D C95D -157.6(6) . .
C66D C68D Sc1D C79D -3.7(5) . .
C74D C68D Sc1D C79D -123.5(5) . .
C34B C68D Sc1D C79D 116.5(7) . .
C83D C87D Sc1D N0 -36.0(11) . .
C95D C87D Sc1D N0 79.5(9) . .
C86D C87D Sc1D N0 -156.8(9) . .
C83D C87D Sc1D C85D 152.4(8) . .
C95D C87D Sc1D C85D -92.1(7) . .
C86D C87D Sc1D C85D 31.6(5) . .
C83D C87D Sc1D C86D 120.8(11) . .
C95D C87D Sc1D C86D -123.7(9) . .
C83D C87D Sc1D C66D 130.4(8) . .
C95D C87D Sc1D C66D -114.1(7) . .
C86D C87D Sc1D C66D 9.6(7) . .
C83D C87D Sc1D C84D -168.5(8) . .
C95D C87D Sc1D C84D -53.0(6) . .
C86D C87D Sc1D C84D 70.6(7) . .
C83D C87D Sc1D C74D 83.2(8) . .
C95D C87D Sc1D C74D -161.3(7) . .
C86D C87D Sc1D C74D -37.6(6) . .
C83D C87D Sc1D C68D 96.3(8) . .
C95D C87D Sc1D C68D -148.2(7) . .
C86D C87D Sc1D C68D -24.6(7) . .
C83D C87D Sc1D C99D -138.6(8) . .
C95D C87D Sc1D C99D -23.1(4) . .
C86D C87D Sc1D C99D 100.6(8) . .
C83D C87D Sc1D C65D 144.3(8) . .
C95D C87D Sc1D C65D -100.2(8) . .
C86D C87D Sc1D C65D 23.4(9) . .
C83D C87D Sc1D C95D -115.5(10) . .
C86D C87D Sc1D C95D 123.7(9) . .
C83D C87D Sc1D C79D -164.8(7) . .
C95D C87D Sc1D C79D -49.3(7) . .
C86D C87D Sc1D C79D 74.4(7) . .
C84D C99D Sc1D N0 128.0(8) . .
C95D C99D Sc1D N0 -93.4(6) . .
C98D C99D Sc1D N0 11.9(7) . .
C84D C99D Sc1D C85D -37.0(6) . .
C95D C99D Sc1D C85D 101.6(6) . .
C98D C99D Sc1D C85D -153.1(6) . .
C84D C99D Sc1D C86D -78.0(7) . .
C95D C99D Sc1D C86D 60.7(5) . .
C98D C99D Sc1D C86D 165.9(6) . .
C84D C99D Sc1D C66D -20.9(6) . .
C95D C99D Sc1D C66D 117.7(5) . .
C98D C99D Sc1D C66D -137.0(5) . .
C95D C99D Sc1D C84D 138.6(8) . .
C98D C99D Sc1D C84D -116.1(8) . .
C84D C99D Sc1D C74D -79.1(7) . .
C95D C99D Sc1D C74D 59.5(5) . .
C98D C99D Sc1D C74D 164.8(5) . .
C84D C99D Sc1D C68D -45.9(8) . .
C95D C99D Sc1D C68D 92.7(6) . .
C98D C99D Sc1D C68D -162.0(6) . .
C84D C99D Sc1D C87D -115.0(7) . .
C95D C99D Sc1D C87D 23.7(5) . .
C98D C99D Sc1D C87D 128.9(6) . .
C84D C99D Sc1D C65D 9.8(7) . .
C95D C99D Sc1D C65D 148.4(5) . .
C98D C99D Sc1D C65D -106.3(5) . .
C84D C99D Sc1D C95D -138.6(8) . .
C98D C99D Sc1D C95D 105.3(4) . .
C84D C99D Sc1D C79D 32.3(6) . .
C95D C99D Sc1D C79D 170.9(6) . .
C98D C99D Sc1D C79D -83.8(6) . .
C70D C65D Sc1D N0 -75.1(10) . .
C66D C65D Sc1D N0 152.6(8) . .
C1B C65D Sc1D N0 39.0(9) . .
C70D C65D Sc1D C85D 96.0(10) . .
C66D C65D Sc1D C85D -36.3(6) . .
C1B C65D Sc1D C85D -149.8(8) . .
C70D C65D Sc1D C86D 117.8(10) . .
C66D C65D Sc1D C86D -14.5(7) . .
C1B C65D Sc1D C86D -128.1(8) . .
C70D C65D Sc1D C66D 132.3(12) . .
C1B C65D Sc1D C66D -113.6(10) . .
C70D C65D Sc1D C84D 54.4(9) . .
C66D C65D Sc1D C84D -77.8(7) . .
C1B C65D Sc1D C84D 168.6(8) . .
C70D C65D Sc1D C74D 152.8(9) . .
C66D C65D Sc1D C74D 20.5(7) . .
C1B C65D Sc1D C74D -93.0(8) . .
C70D C65D Sc1D C68D 168.2(11) . .
C66D C65D Sc1D C68D 35.9(5) . .
C1B C65D Sc1D C68D -77.7(7) . .
C70D C65D Sc1D C87D 104.6(10) . .
C66D C65D Sc1D C87D -27.6(9) . .
C1B C65D Sc1D C87D -141.2(9) . .
C70D C65D Sc1D C99D 48.8(9) . .
C66D C65D Sc1D C99D -83.4(7) . .
C1B C65D Sc1D C99D 163.0(7) . .
C70D C65D Sc1D C95D 67.2(10) . .
C66D C65D Sc1D C95D -65.0(8) . .
C1B C65D Sc1D C95D -178.6(7) . .
C70D C65D Sc1D C79D 25.6(8) . .
C66D C65D Sc1D C79D -106.7(8) . .
C1B C65D Sc1D C79D 139.8(9) . .
C87D C95D Sc1D N0 -118.5(8) . .
C99D C95D Sc1D N0 102.3(7) . .
C96D C95D Sc1D N0 -1.9(8) . .
C87D C95D Sc1D C85D 74.7(7) . .
C99D C95D Sc1D C85D -64.5(5) . .
C96D C95D Sc1D C85D -168.6(6) . .
C87D C95D Sc1D C86D 34.4(6) . .
C99D C95D Sc1D C86D -104.8(6) . .
C96D C95D Sc1D C86D 151.1(6) . .
C87D C95D Sc1D C66D 71.8(7) . .
C99D C95D Sc1D C66D -67.4(6) . .
C96D C95D Sc1D C66D -171.5(6) . .
C87D C95D Sc1D C84D 114.8(8) . .
C99D C95D Sc1D C84D -24.4(5) . .
C96D C95D Sc1D C84D -128.5(6) . .
C87D C95D Sc1D C74D 15.9(6) . .
C99D C95D Sc1D C74D -123.4(5) . .
C96D C95D Sc1D C74D 132.5(5) . .
C87D C95D Sc1D C68D 35.9(8) . .
C99D C95D Sc1D C68D -103.4(6) . .
C96D C95D Sc1D C68D 152.5(6) . .
C99D C95D Sc1D C87D -139.2(8) . .
C96D C95D Sc1D C87D 116.7(8) . .
C87D C95D Sc1D C99D 139.2(8) . .
C96D C95D Sc1D C99D -104.1(4) . .
C87D C95D Sc1D C65D 100.9(8) . .
C99D C95D Sc1D C65D -38.4(7) . .
C96D C95D Sc1D C65D -142.5(7) . .
C87D C95D Sc1D C79D 131.9(7) . .
C99D C95D Sc1D C79D -7.3(5) . .
C96D C95D Sc1D C79D -111.4(5) . .
C84D C79D Sc1D N0 -145.1(8) . .
C78D C79D Sc1D N0 -32.3(9) . .
C70D C79D Sc1D N0 74.9(9) . .
C84D C79D Sc1D C85D 40.0(7) . .
C78D C79D Sc1D C85D 152.8(10) . .
C70D C79D Sc1D C85D -100.0(8) . .
C84D C79D Sc1D C86D 26.1(7) . .
C78D C79D Sc1D C86D 138.9(9) . .
C70D C79D Sc1D C86D -113.9(8) . .
C84D C79D Sc1D C66D 82.3(7) . .
C78D C79D Sc1D C66D -164.9(9) . .
C70D C79D Sc1D C66D -57.7(8) . .
C78D C79D Sc1D C84D 112.8(11) . .
C70D C79D Sc1D C84D -140.0(11) . .
C84D C79D Sc1D C74D 53.5(8) . .
C78D C79D Sc1D C74D 166.4(8) . .
C70D C79D Sc1D C74D -86.4(9) . .
C84D C79D Sc1D C68D 84.6(7) . .
C78D C79D Sc1D C68D -162.5(8) . .
C70D C79D Sc1D C68D -55.3(8) . .
C84D C79D Sc1D C87D -7.4(7) . .
C78D C79D Sc1D C87D 105.5(9) . .
C70D C79D Sc1D C87D -147.3(8) . .
C84D C79D Sc1D C99D -35.2(7) . .
C78D C79D Sc1D C99D 77.6(8) . .
C70D C79D Sc1D C99D -175.2(9) . .
C84D C79D Sc1D C65D 115.3(8) . .
C78D C79D Sc1D C65D -131.8(10) . .
C70D C79D Sc1D C65D -24.6(7) . .
C84D C79D Sc1D C95D -30.6(7) . .
C78D C79D Sc1D C95D 82.2(8) . .
C70D C79D Sc1D C95D -170.6(8) . .
N0 C43 Sc3B C88D -163.8(6) . .
Sc1B C43 Sc3B C88D -170.9(10) . .
N0 C43 Sc3B C92D -102.1(14) . .
Sc1B C43 Sc3B C92D -109.3(17) . .
Sc1B C43 Sc3B N0 -7.1(8) . .
N0 C43 Sc3B C89D 146.9(6) . .
Sc1B C43 Sc3B C89D 139.8(11) . .
N0 C43 Sc3B C93D 48.7(16) . .
Sc1B C43 Sc3B C93D 42(2) . .
N0 C43 Sc3B C90D 101.4(7) . .
Sc1B C43 Sc3B C90D 94.2(13) . .
N0 C43 Sc3B C38B -148.3(7) . .
Sc1B C43 Sc3B C38B -155.4(12) . .
N0 C43 Sc3B C91D -77.8(9) . .
Sc1B C43 Sc3B C91D -85.0(14) . .
N0 C43 Sc3B C30B 142.7(7) . .
Sc1B C43 Sc3B C30B 135.6(13) . .
N0 C43 Sc3B Sc1D -5.1(6) . .
Sc1B C43 Sc3B Sc1D -12.2(11) . .
C38B C88D Sc3B C43 26.7(10) . .
C89D C88D Sc3B C43 -91.0(6) . .
C92D C88D Sc3B C43 154.2(6) . .
C38B C88D Sc3B C92D -127.5(9) . .
C89D C88D Sc3B C92D 114.9(4) . .
C38B C88D Sc3B N0 -1.5(16) . .
C89D C88D Sc3B N0 -119.1(11) . .
C92D C88D Sc3B N0 126.0(11) . .
C38B C88D Sc3B C89D 117.7(8) . .
C92D C88D Sc3B C89D -114.9(4) . .
C38B C88D Sc3B C93D -165.3(8) . .
C89D C88D Sc3B C93D 77.1(3) . .
C92D C88D Sc3B C93D -37.8(3) . .
C38B C88D Sc3B C90D 154.3(8) . .
C89D C88D Sc3B C90D 36.6(3) . .
C92D C88D Sc3B C90D -78.3(3) . .
C89D C88D Sc3B C38B -117.7(8) . .
C92D C88D Sc3B C38B 127.5(9) . .
C38B C88D Sc3B C91D -93.1(7) . .
C89D C88D Sc3B C91D 149.3(5) . .
C92D C88D Sc3B C91D 34.4(5) . .
C38B C88D Sc3B C30B 89.3(7) . .
C89D C88D Sc3B C30B -28.3(5) . .
C92D C88D Sc3B C30B -143.2(5) . .
C38B C88D Sc3B Sc1D -101.9(9) . .
C89D C88D Sc3B Sc1D 140.4(9) . .
C92D C88D Sc3B Sc1D 25.6(9) . .
C91D C92D Sc3B C43 35.0(17) . .
C93D C92D Sc3B C43 164.0(12) . .
C88D C92D Sc3B C43 -80.1(13) . .
C91D C92D Sc3B C88D 115.2(9) . .
C93D C92D Sc3B C88D -115.9(4) . .
C91D C92D Sc3B N0 -37.0(11) . .
C93D C92D Sc3B N0 91.9(6) . .
C88D C92D Sc3B N0 -152.2(6) . .
C91D C92D Sc3B C89D 154.9(9) . .
C93D C92D Sc3B C89D -76.2(3) . .
C88D C92D Sc3B C89D 39.7(3) . .
C91D C92D Sc3B C93D -128.9(10) . .
C88D C92D Sc3B C93D 115.9(4) . .
C91D C92D Sc3B C90D -163.6(9) . .
C93D C92D Sc3B C90D -34.7(3) . .
C88D C92D Sc3B C90D 81.2(3) . .
C91D C92D Sc3B C38B 85.1(8) . .
C93D C92D Sc3B C38B -145.9(5) . .
C88D C92D Sc3B C38B -30.0(5) . .
C93D C92D Sc3B C91D 128.9(10) . .
C88D C92D Sc3B C91D -115.2(9) . .
C91D C92D Sc3B C30B 148.5(8) . .
C93D C92D Sc3B C30B -82.5(5) . .
C88D C92D Sc3B C30B 33.4(5) . .
C91D C92D Sc3B Sc1D -53.2(8) . .
C93D C92D Sc3B Sc1D 75.8(4) . .
C88D C92D Sc3B Sc1D -168.3(4) . .
C43 N0 Sc3B C43 -164(2) 6 .
Sc1D N0 Sc3B C43 0.9(9) 6 .
Sc1D N0 Sc3B C43 -171.6(9) . .
Sc1B N0 Sc3B C43 7.1(8) . .
Sc1B N0 Sc3B C43 -175.2(9) 6 .
Sc3B N0 Sc3B C43 5.6(7) 6 .
C43 N0 Sc3B C88D -123.7(17) 6 .
C43 N0 Sc3B C88D 40.7(15) . .
Sc1D N0 Sc3B C88D 41.6(16) 6 .
Sc1D N0 Sc3B C88D -130.9(12) . .
Sc1B N0 Sc3B C88D 47.8(15) . .
Sc1B N0 Sc3B C88D -134.6(11) 6 .
Sc3B N0 Sc3B C88D 46.3(12) 6 .
C43 N0 Sc3B C92D -20.0(15) 6 .
C43 N0 Sc3B C92D 144.4(9) . .
Sc1D N0 Sc3B C92D 145.3(9) 6 .
Sc1D N0 Sc3B C92D -27.2(9) . .
Sc1B N0 Sc3B C92D 151.6(7) . .
Sc1B N0 Sc3B C92D -30.8(8) 6 .
Sc3B N0 Sc3B C92D 150.1(6) 6 .
C43 N0 Sc3B C89D 140.5(14) 6 .
C43 N0 Sc3B C89D -55.0(10) . .
Sc1D N0 Sc3B C89D -54.2(11) 6 .
Sc1D N0 Sc3B C89D 133.4(6) . .
Sc1B N0 Sc3B C89D -47.9(10) . .
Sc1B N0 Sc3B C89D 129.7(5) 6 .
Sc3B N0 Sc3B C89D -49.4(6) 6 .
C43 N0 Sc3B C93D 36.3(14) 6 .
C43 N0 Sc3B C93D -159.3(8) . .
Sc1D N0 Sc3B C93D -158.4(8) 6 .
Sc1D N0 Sc3B C93D 29.2(7) . .
Sc1B N0 Sc3B C93D -152.1(6) . .
Sc1B N0 Sc3B C93D 25.5(6) 6 .
Sc3B N0 Sc3B C93D -153.6(4) 6 .
C43 N0 Sc3B C90D 86.0(13) 6 .
C43 N0 Sc3B C90D -109.5(8) . .
Sc1D N0 Sc3B C90D -108.7(8) 6 .
Sc1D N0 Sc3B C90D 78.9(6) . .
Sc1B N0 Sc3B C90D -102.4(7) . .
Sc1B N0 Sc3B C90D 75.2(5) 6 .
Sc3B N0 Sc3B C90D -103.9(4) 6 .
C43 N0 Sc3B C38B -124.8(13) 6 .
C43 N0 Sc3B C38B 39.6(8) . .
Sc1D N0 Sc3B C38B 40.5(10) 6 .
Sc1D N0 Sc3B C38B -131.9(5) . .
Sc1B N0 Sc3B C38B 46.8(8) . .
Sc1B N0 Sc3B C38B -135.6(4) 6 .
Sc3B N0 Sc3B C38B 45.3(4) 6 .
C43 N0 Sc3B C91D -41.8(13) 6 .
C43 N0 Sc3B C91D 122.6(8) . .
Sc1D N0 Sc3B C91D 123.4(8) 6 .
Sc1D N0 Sc3B C91D -49.0(6) . .
Sc1B N0 Sc3B C91D 129.7(6) . .
Sc1B N0 Sc3B C91D -52.7(5) 6 .
Sc3B N0 Sc3B C91D 128.2(3) 6 .
C43 N0 Sc3B C30B 154.0(13) 6 .
C43 N0 Sc3B C30B -41.5(8) . .
Sc1D N0 Sc3B C30B -40.7(9) 6 .
Sc1D N0 Sc3B C30B 146.9(5) . .
Sc1B N0 Sc3B C30B -34.4(7) . .
Sc1B N0 Sc3B C30B 143.2(3) 6 .
Sc3B N0 Sc3B C30B -35.9(3) 6 .
C43 N0 Sc3B Sc1D 7.1(13) 6 .
C43 N0 Sc3B Sc1D 171.6(9) . .
Sc1D N0 Sc3B Sc1D 172.4(12) 6 .
Sc1B N0 Sc3B Sc1D 178.7(9) . .
Sc1B N0 Sc3B Sc1D -3.7(4) 6 .
Sc3B N0 Sc3B Sc1D 177.2(5) 6 .
C88D C89D Sc3B C43 119.7(6) . .
C90D C89D Sc3B C43 -122.6(6) . .
C30B C89D Sc3B C43 -7.8(9) . .
C90D C89D Sc3B C88D 117.7(4) . .
C30B C89D Sc3B C88D -127.5(8) . .
C88D C89D Sc3B C92D -40.8(3) . .
C90D C89D Sc3B C92D 76.9(4) . .
C30B C89D Sc3B C92D -168.3(8) . .
C88D C89D Sc3B N0 150.7(5) . .
C90D C89D Sc3B N0 -91.6(5) . .
C30B C89D Sc3B N0 23.2(10) . .
C88D C89D Sc3B C93D -83.2(3) . .
C90D C89D Sc3B C93D 34.5(3) . .
C30B C89D Sc3B C93D 149.3(8) . .
C88D C89D Sc3B C90D -117.7(4) . .
C30B C89D Sc3B C90D 114.8(8) . .
C88D C89D Sc3B C38B 35.3(6) . .
C90D C89D Sc3B C38B 153.0(6) . .
C30B C89D Sc3B C38B -92.2(7) . .
C88D C89D Sc3B C91D -27.1(5) . .
C90D C89D Sc3B C91D 90.6(5) . .
C30B C89D Sc3B C91D -154.7(7) . .
C88D C89D Sc3B C30B 127.5(8) . .
C90D C89D Sc3B C30B -114.8(8) . .
C88D C89D Sc3B Sc1D -141.4(8) . .
C90D C89D Sc3B Sc1D -23.7(9) . .
C30B C89D Sc3B Sc1D 91.1(9) . .
C94D C93D Sc3B C43 -48.3(16) . .
C92D C93D Sc3B C43 -165.1(12) . .
C90D C93D Sc3B C43 73.9(12) . .
C94D C93D Sc3B C88D 157.6(9) . .
C92D C93D Sc3B C88D 40.8(3) . .
C90D C93D Sc3B C88D -80.3(4) . .
C94D C93D Sc3B C92D 116.8(10) . .
C90D C93D Sc3B C92D -121.0(4) . .
C94D C93D Sc3B N0 -15.6(10) . .
C92D C93D Sc3B N0 -132.4(5) . .
C90D C93D Sc3B N0 106.6(5) . .
C94D C93D Sc3B C89D -157.6(9) . .
C92D C93D Sc3B C89D 85.6(4) . .
C90D C93D Sc3B C89D -35.4(3) . .
C94D C93D Sc3B C90D -122.2(10) . .
C92D C93D Sc3B C90D 121.0(4) . .
C94D C93D Sc3B C38B 148.8(8) . .
C92D C93D Sc3B C38B 32.0(5) . .
C90D C93D Sc3B C38B -89.0(5) . .
C94D C93D Sc3B C91D 88.3(9) . .
C92D C93D Sc3B C91D -28.5(6) . .
C90D C93D Sc3B C91D -149.5(6) . .
C94D C93D Sc3B C30B -141.5(8) . .
C92D C93D Sc3B C30B 101.7(5) . .
C90D C93D Sc3B C30B -19.4(5) . .
C94D C93D Sc3B Sc1D 0.3(9) . .
C92D C93D Sc3B Sc1D -116.5(5) . .
C90D C93D Sc3B Sc1D 122.5(4) . .
C80D C90D Sc3B C43 -40.3(9) . .
C93D C90D Sc3B C43 -152.0(6) . .
C89D C90D Sc3B C43 86.2(6) . .
C80D C90D Sc3B C88D -165.7(8) . .
C93D C90D Sc3B C88D 82.5(4) . .
C89D C90D Sc3B C88D -39.2(3) . .
C80D C90D Sc3B C92D 148.1(8) . .
C93D C90D Sc3B C92D 36.3(3) . .
C89D C90D Sc3B C92D -85.4(4) . .
C80D C90D Sc3B N0 4.3(8) . .
C93D C90D Sc3B N0 -107.5(4) . .
C89D C90D Sc3B N0 130.7(4) . .
C80D C90D Sc3B C89D -126.4(9) . .
C93D C90D Sc3B C89D 121.8(4) . .
C80D C90D Sc3B C93D 111.8(9) . .
C89D C90D Sc3B C93D -121.8(4) . .
C80D C90D Sc3B C38B -150.8(7) . .
C93D C90D Sc3B C38B 97.4(6) . .
C89D C90D Sc3B C38B -24.3(5) . .
C80D C90D Sc3B C91D 139.1(7) . .
C93D C90D Sc3B C91D 27.3(5) . .
C89D C90D Sc3B C91D -94.4(5) . .
C80D C90D Sc3B C30B -91.1(8) . .
C93D C90D Sc3B C30B 157.1(5) . .
C89D C90D Sc3B C30B 35.3(5) . .
C80D C90D Sc3B Sc1D 42.2(8) . .
C93D C90D Sc3B Sc1D -69.6(5) . .
C89D C90D Sc3B Sc1D 168.6(5) . .
C28B C38B Sc3B C43 -39.6(8) . .
C37B C38B Sc3B C43 82.9(10) . .
C88D C38B Sc3B C43 -160.3(7) . .
C28B C38B Sc3B C88D 120.7(10) . .
C37B C38B Sc3B C88D -116.9(12) . .
C28B C38B Sc3B C92D 155.2(8) . .
C37B C38B Sc3B C92D -82.3(9) . .
C88D C38B Sc3B C92D 34.6(6) . .
C28B C38B Sc3B N0 -59.9(7) . .
C37B C38B Sc3B N0 62.6(10) . .
C88D C38B Sc3B N0 179.4(6) . .
C28B C38B Sc3B C89D 80.9(7) . .
C37B C38B Sc3B C89D -156.7(10) . .
C88D C38B Sc3B C89D -39.8(6) . .
C28B C38B Sc3B C93D 134.4(7) . .
C37B C38B Sc3B C93D -103.1(9) . .
C88D C38B Sc3B C93D 13.7(7) . .
C28B C38B Sc3B C90D 97.2(7) . .
C37B C38B Sc3B C90D -140.4(9) . .
C88D C38B Sc3B C90D -23.5(7) . .
C28B C38B Sc3B C91D -168.8(8) . .
C37B C38B Sc3B C91D -46.4(9) . .
C88D C38B Sc3B C91D 70.5(7) . .
C28B C38B Sc3B C30B 45.6(7) . .
C37B C38B Sc3B C30B 168.0(10) . .
C88D C38B Sc3B C30B -75.1(7) . .
C28B C38B Sc3B Sc1D -101.4(7) . .
C37B C38B Sc3B Sc1D 21.0(12) . .
C88D C38B Sc3B Sc1D 137.9(7) . .
C75D C91D Sc3B C43 -34.3(11) . .
C97D C91D Sc3B C43 90.1(9) . .
C92D C91D Sc3B C43 -165.8(7) . .
C75D C91D Sc3B C88D 88.6(9) . .
C97D C91D Sc3B C88D -147.0(9) . .
C92D C91D Sc3B C88D -42.9(7) . .
C75D C91D Sc3B C92D 131.5(13) . .
C97D C91D Sc3B C92D -104.1(11) . .
C75D C91D Sc3B N0 -70.4(9) . .
C97D C91D Sc3B N0 54.0(8) . .
C92D C91D Sc3B N0 158.1(7) . .
C75D C91D Sc3B C89D 108.2(9) . .
C97D C91D Sc3B C89D -127.4(8) . .
C92D C91D Sc3B C89D -23.3(8) . .
C75D C91D Sc3B C93D 164.1(10) . .
C97D C91D Sc3B C93D -71.5(8) . .
C92D C91D Sc3B C93D 32.6(6) . .
C75D C91D Sc3B C90D 146.3(9) . .
C97D C91D Sc3B C90D -89.3(8) . .
C92D C91D Sc3B C90D 14.8(8) . .
C75D C91D Sc3B C38B 50.0(9) . .
C97D C91D Sc3B C38B 174.3(9) . .
C92D C91D Sc3B C38B -81.5(8) . .
C75D C91D Sc3B C30B 91.4(9) . .
C97D C91D Sc3B C30B -144.2(7) . .
C92D C91D Sc3B C30B -40.1(9) . .
C75D C91D Sc3B Sc1D -95.1(9) . .
C97D C91D Sc3B Sc1D 29.3(8) . .
C92D C91D Sc3B Sc1D 133.4(7) . .
C31B C30B Sc3B C43 -69.4(7) . .
C29B C30B Sc3B C43 54.5(8) . .
C89D C30B Sc3B C43 173.3(8) . .
C31B C30B Sc3B C88D 151.9(7) . .
C29B C30B Sc3B C88D -84.2(7) . .
C89D C30B Sc3B C88D 34.7(6) . .
C31B C30B Sc3B C92D 128.2(7) . .
C29B C30B Sc3B C92D -108.0(8) . .
C89D C30B Sc3B C92D 10.9(7) . .
C31B C30B Sc3B N0 -48.5(7) . .
C29B C30B Sc3B N0 75.4(7) . .
C89D C30B Sc3B N0 -165.8(6) . .
C31B C30B Sc3B C89D 117.3(10) . .
C29B C30B Sc3B C89D -118.8(9) . .
C31B C30B Sc3B C93D 89.9(7) . .
C29B C30B Sc3B C93D -146.2(7) . .
C89D C30B Sc3B C93D -27.3(7) . .
C31B C30B Sc3B C90D 76.4(7) . .
C29B C30B Sc3B C90D -159.7(9) . .
C89D C30B Sc3B C90D -40.8(6) . .
C31B C30B Sc3B C38B -169.3(8) . .
C29B C30B Sc3B C38B -45.4(7) . .
C89D C30B Sc3B C38B 73.4(7) . .
C31B C30B Sc3B C91D 149.3(6) . .
C29B C30B Sc3B C91D -86.8(8) . .
C89D C30B Sc3B C91D 32.0(8) . .
C31B C30B Sc3B Sc1D -20.7(9) . .
C29B C30B Sc3B Sc1D 103.2(7) . .
C89D C30B Sc3B Sc1D -138.0(6) . .
N0 Sc1D Sc3B C43 5.0(5) . .
C85D Sc1D Sc3B C43 -151.9(11) . .
C86D Sc1D Sc3B C43 155.8(8) . .
C66D Sc1D Sc3B C43 -44(3) . .
C84D Sc1D Sc3B C43 -125.6(6) . .
C74D Sc1D Sc3B C43 108.9(8) . .
C68D Sc1D Sc3B C43 61.6(10) . .
C87D Sc1D Sc3B C43 159.7(6) . .
C99D Sc1D Sc3B C43 -143.6(5) . .
C65D Sc1D Sc3B C43 -43.3(8) . .
C95D Sc1D Sc3B C43 -172.9(5) . .
C79D Sc1D Sc3B C43 -94.5(6) . .
N0 Sc1D Sc3B C88D 145.4(8) . .
C85D Sc1D Sc3B C88D -11.5(14) . .
C86D Sc1D Sc3B C88D -63.7(11) . .
C66D Sc1D Sc3B C88D 97(3) . .
C84D Sc1D Sc3B C88D 14.8(10) . .
C74D Sc1D Sc3B C88D -110.6(9) . .
C68D Sc1D Sc3B C88D -158.0(9) . .
C87D Sc1D Sc3B C88D -59.9(9) . .
C99D Sc1D Sc3B C88D -3.1(9) . .
C65D Sc1D Sc3B C88D 97.1(10) . .
C95D Sc1D Sc3B C88D -32.5(9) . .
C79D Sc1D Sc3B C88D 45.9(10) . .
N0 Sc1D Sc3B C92D 163.8(5) . .
C85D Sc1D Sc3B C92D 7.0(10) . .
C86D Sc1D Sc3B C92D -45.3(8) . .
C66D Sc1D Sc3B C92D 115(3) . .
C84D Sc1D Sc3B C92D 33.3(6) . .
C74D Sc1D Sc3B C92D -92.2(7) . .
C68D Sc1D Sc3B C92D -139.6(9) . .
C87D Sc1D Sc3B C92D -41.5(6) . .
C99D Sc1D Sc3B C92D 15.3(5) . .
C65D Sc1D Sc3B C92D 115.6(8) . .
C95D Sc1D Sc3B C92D -14.0(5) . .
C79D Sc1D Sc3B C92D 64.3(5) . .
C85D Sc1D Sc3B N0 -156.9(12) . .
C86D Sc1D Sc3B N0 150.9(9) . .
C66D Sc1D Sc3B N0 -49(3) . .
C84D Sc1D Sc3B N0 -130.6(7) . .
C74D Sc1D Sc3B N0 104.0(8) . .
C68D Sc1D Sc3B N0 56.6(9) . .
C87D Sc1D Sc3B N0 154.7(7) . .
C99D Sc1D Sc3B N0 -148.5(6) . .
C65D Sc1D Sc3B N0 -48.3(7) . .
C95D Sc1D Sc3B N0 -177.9(6) . .
C79D Sc1D Sc3B N0 -99.5(6) . .
N0 Sc1D Sc3B C89D -107.1(8) . .
C85D Sc1D Sc3B C89D 96.0(12) . .
C86D Sc1D Sc3B C89D 43.7(11) . .
C66D Sc1D Sc3B C89D -156(3) . .
C84D Sc1D Sc3B C89D 122.3(8) . .
C74D Sc1D Sc3B C89D -3.1(11) . .
C68D Sc1D Sc3B C89D -50.5(13) . .
C87D Sc1D Sc3B C89D 47.6(9) . .
C99D Sc1D Sc3B C89D 104.3(8) . .
C65D Sc1D Sc3B C89D -155.4(8) . .
C95D Sc1D Sc3B C89D 75.0(8) . .
C79D Sc1D Sc3B C89D 153.4(7) . .
N0 Sc1D Sc3B C93D -158.2(5) . .
C85D Sc1D Sc3B C93D 45.0(10) . .
C86D Sc1D Sc3B C93D -7.3(7) . .
C66D Sc1D Sc3B C93D 153(3) . .
C84D Sc1D Sc3B C93D 71.2(5) . .
C74D Sc1D Sc3B C93D -54.2(7) . .
C68D Sc1D Sc3B C93D -101.6(9) . .
C87D Sc1D Sc3B C93D -3.5(5) . .
C99D Sc1D Sc3B C93D 53.3(4) . .
C65D Sc1D Sc3B C93D 153.5(8) . .
C95D Sc1D Sc3B C93D 23.9(4) . .
C79D Sc1D Sc3B C93D 102.3(5) . .
N0 Sc1D Sc3B C90D -123.3(5) . .
C85D Sc1D Sc3B C90D 79.8(10) . .
C86D Sc1D Sc3B C90D 27.6(8) . .
C66D Sc1D Sc3B C90D -172(3) . .
C84D Sc1D Sc3B C90D 106.1(5) . .
C74D Sc1D Sc3B C90D -19.3(7) . .
C68D Sc1D Sc3B C90D -66.7(10) . .
C87D Sc1D Sc3B C90D 31.4(5) . .
C99D Sc1D Sc3B C90D 88.2(4) . .
C65D Sc1D Sc3B C90D -171.6(7) . .
C95D Sc1D Sc3B C90D 58.8(4) . .
C79D Sc1D Sc3B C90D 137.2(5) . .
N0 Sc1D Sc3B C38B 77.7(8) . .
C85D Sc1D Sc3B C38B -79.2(11) . .
C86D Sc1D Sc3B C38B -131.5(8) . .
C66D Sc1D Sc3B C38B 29(3) . .
C84D Sc1D Sc3B C38B -52.9(8) . .
C74D Sc1D Sc3B C38B -178.3(7) . .
C68D Sc1D Sc3B C38B 134.3(10) . .
C87D Sc1D Sc3B C38B -127.6(7) . .
C99D Sc1D Sc3B C38B -70.9(7) . .
C65D Sc1D Sc3B C38B 29.4(11) . .
C95D Sc1D Sc3B C38B -100.2(7) . .
C79D Sc1D Sc3B C38B -21.8(8) . .
N0 Sc1D Sc3B C91D 137.6(5) . .
C85D Sc1D Sc3B C91D -19.3(10) . .
C86D Sc1D Sc3B C91D -71.5(7) . .
C66D Sc1D Sc3B C91D 89(3) . .
C84D Sc1D Sc3B C91D 7.0(5) . .
C74D Sc1D Sc3B C91D -118.4(7) . .
C68D Sc1D Sc3B C91D -165.8(9) . .
C87D Sc1D Sc3B C91D -67.7(5) . .
C99D Sc1D Sc3B C91D -10.9(4) . .
C65D Sc1D Sc3B C91D 89.3(8) . .
C95D Sc1D Sc3B C91D -40.3(4) . .
C79D Sc1D Sc3B C91D 38.1(5) . .
N0 Sc1D Sc3B C30B -50.4(6) . .
C85D Sc1D Sc3B C30B 152.7(9) . .
C86D Sc1D Sc3B C30B 100.4(7) . .
C66D Sc1D Sc3B C30B -99(3) . .
C84D Sc1D Sc3B C30B 179.0(5) . .
C74D Sc1D Sc3B C30B 53.6(8) . .
C68D Sc1D Sc3B C30B 6.2(11) . .
C87D Sc1D Sc3B C30B 104.3(6) . .
C99D Sc1D Sc3B C30B 161.0(5) . .
C65D Sc1D Sc3B C30B -98.7(8) . .
C95D Sc1D Sc3B C30B 131.7(5) . .
C79D Sc1D Sc3B C30B -149.9(5) . .
C1P C1P C2P N3P 0.9(4) 6 .
C12P C1P C2P N3P -175.2(5) . .
C1P C1P C2P C3P 178.9(4) 6 .
C12P C1P C2P C3P 2.7(8) . .
N3P C2P C3P C4P 3.3(7) . .
C1P C2P C3P C4P -174.4(4) . .
C2P C3P C4P N2P -1.8(7) . .
C2P C3P C4P C5P 176.3(4) . .
N2P C4P C5P C6P 0.3(5) . .
C3P C4P C5P C6P -178.0(4) . .
N2P C4P C5P C14P 177.0(4) . .
C3P C4P C5P C14P -1.3(7) . .
C4P C5P C6P C7P -0.8(5) . .
C14P C5P C6P C7P -177.3(5) . .
C4P C5P C6P C15P 178.2(5) . .
C14P C5P C6P C15P 1.7(9) . .
C5P C6P C7P C8P 177.6(4) . .
C15P C6P C7P C8P -1.4(7) . .
C5P C6P C7P N2P 1.0(5) . .
C15P C6P C7P N2P -178.0(4) . .
N2P C7P C8P C9P 1.1(7) . .
C6P C7P C8P C9P -175.0(4) . .
C7P C8P C9P N1P -4.2(7) . .
C7P C8P C9P C10P 176.5(4) . .
C8P C9P C10P C10P -179.8(3) . 6
N1P C9P C10P C10P 0.9(4) . 6
C8P C9P C10P C17P -4.5(7) . .
N1P C9P C10P C17P 176.1(4) . .
C1P C1P C12P C11P -101.4(4) 6 .
C2P C1P C12P C11P 73.9(6) . .
C6P C5P C14P C13P 99.5(6) . .
C4P C5P C14P C13P -76.5(6) . .
C5P C6P C15P C16P -100.7(6) . .
C7P C6P C15P C16P 78.2(6) . .
C10P C10P C17P C18P 95.0(4) 6 .
C9P C10P C17P C18P -79.1(6) . .
C3P C4P N2P C7P 178.6(4) . .
C5P C4P N2P C7P 0.3(4) . .
C3P C4P N2P Ni1 -0.3(6) . .
C5P C4P N2P Ni1 -178.6(3) . .
C8P C7P N2P C4P -177.5(4) . .
C6P C7P N2P C4P -0.8(4) . .
C8P C7P N2P Ni1 1.5(6) . .
C6P C7P N2P Ni1 178.1(3) . .
C8P C9P N1P C9P 179.3(3) . 6
C10P C9P N1P C9P -1.4(6) . 6
C8P C9P N1P Ni1 4.6(7) . .
C10P C9P N1P Ni1 -176.0(3) . .
C3P C2P N3P C2P -179.4(3) . 6
C1P C2P N3P C2P -1.4(6) . 6
C3P C2P N3P Ni1 -2.6(7) . .
C1P C2P N3P Ni1 175.4(4) . .
C9P N1P Ni1 N3P 86.7(4) . .
C9P N1P Ni1 N3P -86.7(4) 6 .
C9P N1P Ni1 N2P -1.9(4) . .
C9P N1P Ni1 N2P -175.3(4) 6 .
C9P N1P Ni1 N2P 175.3(4) . 6
C9P N1P Ni1 N2P 1.9(4) 6 6
C2P N3P Ni1 N1P 88.0(4) 6 .
C2P N3P Ni1 N1P -88.0(4) . .
C2P N3P Ni1 N2P 176.7(5) 6 .
C2P N3P Ni1 N2P 0.6(5) . .
C2P N3P Ni1 N2P -0.6(5) 6 6
C2P N3P Ni1 N2P -176.7(5) . 6
C4P N2P Ni1 N1P 177.7(4) . .
C7P N2P Ni1 N1P -0.9(4) . .
C4P N2P Ni1 N3P 0.8(4) . .
C7P N2P Ni1 N3P -177.9(4) . .
C4P N2P Ni1 N2P 87(4) . 6
C7P N2P Ni1 N2P -92(4) . 6
C9S C4S C5S C6S 0.0 . .
C4S C5S C6S C7S 0.0 . .
C5S C6S C7S C8S 0.0 . .
C6S C7S C8S C9S 0.0 . .
C7S C8S C9S C4S 0.0 . .
C5S C4S C9S C8S 0.0 . .
C3S C1S C2S C3S 9(2) . 2_655
C2S C1S C3S C2S -8(2) . 2_655
